USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 863 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 THR OG1 : rot 152:sc= 1.18 USER MOD Set 1.2: A 94 GLN : amide:sc= -1.1 K(o=0.071,f=-7.1!) USER MOD Set 2.1: A 76 GLN : amide:sc= -6.86! C(o=-15!,f=-25!) USER MOD Set 2.2: A 77 GLN : amide:sc= -8.06! C(o=-15!,f=-26!) USER MOD Set 3.1: A 42 THR OG1 : rot 39:sc= -3.45! USER MOD Set 3.2: A 46 SER OG : rot -94:sc= -3.68! USER MOD Set 4.1: A 26 TYR OH : rot 180:sc= -2.96! USER MOD Set 4.2: A 41 ASN : amide:sc= -8.21! C(o=-11!,f=-6.3!) USER MOD Single : A 20 CYS SG : rot 10:sc= -19.3! USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0173) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0153 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -153:sc= 0.821 USER MOD Single : A 82 ASN : amide:sc= -6.29! C(o=-6.3!,f=-8.4!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 140:sc= -4.48! USER MOD Single : A 85 MET CE :methyl 142:sc= -12.7! (180deg=-20.1!) USER MOD Single : A 89 SER OG : rot 25:sc= -0.431! USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= -0.723 (180deg=-1.67) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -6.49! C(o=-6.5!,f=-6.7!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -40:sc= -1.82! USER MOD Single : A 99 SER OG : rot 131:sc= -6.2! USER MOD Single : A 101 LYS NZ :NH3+ -177:sc= 0.78 (180deg=0.772) USER MOD Single : A 104 LYS NZ :NH3+ -137:sc= -0.773 (180deg=-1.86) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 109 SER OG : rot 81:sc= 1.11 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.898 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -7.438 -6.950 -0.692 1.00 0.00 N ATOM 160 CA PRO A 12 -6.027 -7.282 -0.805 1.00 0.00 C ATOM 161 C PRO A 12 -5.220 -6.483 0.224 1.00 0.00 C ATOM 162 O PRO A 12 -5.057 -6.895 1.355 1.00 0.00 O ATOM 163 CB PRO A 12 -5.654 -6.873 -2.226 1.00 0.00 C ATOM 164 CG PRO A 12 -6.685 -5.752 -2.571 1.00 0.00 C ATOM 165 CD PRO A 12 -7.967 -6.075 -1.748 1.00 0.00 C ATOM 0 HA PRO A 12 -5.821 -8.335 -0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.629 -6.505 -2.281 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.729 -7.713 -2.917 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.293 -4.769 -2.311 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.901 -5.737 -3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.428 -5.175 -1.340 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.724 -6.575 -2.352 1.00 0.00 H new ATOM 173 N VAL A 13 -4.725 -5.337 -0.157 1.00 0.00 N ATOM 174 CA VAL A 13 -3.943 -4.505 0.798 1.00 0.00 C ATOM 175 C VAL A 13 -4.372 -3.043 0.643 1.00 0.00 C ATOM 176 O VAL A 13 -3.592 -2.207 0.233 1.00 0.00 O ATOM 177 CB VAL A 13 -2.449 -4.643 0.496 1.00 0.00 C ATOM 178 CG1 VAL A 13 -1.669 -3.570 1.256 1.00 0.00 C ATOM 179 CG2 VAL A 13 -1.967 -6.027 0.937 1.00 0.00 C ATOM 0 H VAL A 13 -4.829 -4.941 -1.091 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.129 -4.837 1.820 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.284 -4.521 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.606 -3.671 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.011 -2.583 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.834 -3.690 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.903 -6.127 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.134 -6.147 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.520 -6.794 0.395 1.00 0.00 H new ATOM 189 N PRO A 14 -5.617 -2.783 0.964 1.00 0.00 N ATOM 190 CA PRO A 14 -6.181 -1.446 0.858 1.00 0.00 C ATOM 191 C PRO A 14 -5.282 -0.419 1.551 1.00 0.00 C ATOM 192 O PRO A 14 -4.860 -0.613 2.674 1.00 0.00 O ATOM 193 CB PRO A 14 -7.525 -1.542 1.573 1.00 0.00 C ATOM 194 CG PRO A 14 -7.897 -3.052 1.453 1.00 0.00 C ATOM 195 CD PRO A 14 -6.544 -3.817 1.459 1.00 0.00 C ATOM 0 HA PRO A 14 -6.279 -1.122 -0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.448 -1.229 2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.275 -0.906 1.104 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.529 -3.367 2.283 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.454 -3.247 0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.275 -4.165 2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.565 -4.693 0.810 1.00 0.00 H new ATOM 203 N LEU A 15 -5.000 0.685 0.906 1.00 0.00 N ATOM 204 CA LEU A 15 -4.148 1.718 1.560 1.00 0.00 C ATOM 205 C LEU A 15 -4.906 3.054 1.659 1.00 0.00 C ATOM 206 O LEU A 15 -4.365 4.087 1.327 1.00 0.00 O ATOM 207 CB LEU A 15 -2.864 1.921 0.753 1.00 0.00 C ATOM 208 CG LEU A 15 -2.089 0.606 0.689 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.552 0.395 -0.726 1.00 0.00 C ATOM 210 CD2 LEU A 15 -0.918 0.659 1.672 1.00 0.00 C ATOM 0 H LEU A 15 -5.320 0.912 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.898 1.376 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.105 2.263 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.250 2.695 1.214 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.752 -0.218 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.000 -0.544 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.384 0.359 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.889 1.219 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.363 -0.278 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.257 1.484 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.298 0.809 2.683 1.00 0.00 H new ATOM 222 N PRO A 16 -6.131 2.995 2.140 1.00 0.00 N ATOM 223 CA PRO A 16 -6.959 4.176 2.323 1.00 0.00 C ATOM 224 C PRO A 16 -6.136 5.382 2.802 1.00 0.00 C ATOM 225 O PRO A 16 -6.528 6.516 2.611 1.00 0.00 O ATOM 226 CB PRO A 16 -7.973 3.762 3.380 1.00 0.00 C ATOM 227 CG PRO A 16 -8.083 2.211 3.217 1.00 0.00 C ATOM 228 CD PRO A 16 -6.771 1.732 2.522 1.00 0.00 C ATOM 0 HA PRO A 16 -7.424 4.493 1.390 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.639 4.035 4.381 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.935 4.249 3.221 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.204 1.729 4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.955 1.947 2.619 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.145 1.148 3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.977 1.104 1.655 1.00 0.00 H new ATOM 236 N GLU A 17 -5.001 5.162 3.417 1.00 0.00 N ATOM 237 CA GLU A 17 -4.175 6.313 3.891 1.00 0.00 C ATOM 238 C GLU A 17 -3.435 6.965 2.710 1.00 0.00 C ATOM 239 O GLU A 17 -2.477 7.691 2.896 1.00 0.00 O ATOM 240 CB GLU A 17 -3.152 5.812 4.913 1.00 0.00 C ATOM 241 CG GLU A 17 -3.320 6.584 6.224 1.00 0.00 C ATOM 242 CD GLU A 17 -3.179 8.084 5.954 1.00 0.00 C ATOM 243 OE1 GLU A 17 -4.158 8.688 5.549 1.00 0.00 O ATOM 244 OE2 GLU A 17 -2.093 8.603 6.159 1.00 0.00 O ATOM 0 H GLU A 17 -4.612 4.239 3.610 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.830 7.054 4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.289 4.745 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.141 5.945 4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.296 6.372 6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.571 6.262 6.947 1.00 0.00 H new ATOM 251 N LEU A 18 -3.870 6.722 1.501 1.00 0.00 N ATOM 252 CA LEU A 18 -3.202 7.329 0.319 1.00 0.00 C ATOM 253 C LEU A 18 -4.272 7.651 -0.731 1.00 0.00 C ATOM 254 O LEU A 18 -4.651 6.794 -1.506 1.00 0.00 O ATOM 255 CB LEU A 18 -2.196 6.334 -0.260 1.00 0.00 C ATOM 256 CG LEU A 18 -0.968 7.087 -0.772 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.268 6.644 0.014 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.767 6.777 -2.256 1.00 0.00 C ATOM 0 H LEU A 18 -4.667 6.123 1.284 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.677 8.240 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.901 5.613 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.654 5.769 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.116 8.159 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.143 7.181 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.124 6.862 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.418 5.573 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.108 7.313 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.618 5.705 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.647 7.092 -2.816 1.00 0.00 H new ATOM 270 N PRO A 19 -4.743 8.873 -0.713 1.00 0.00 N ATOM 271 CA PRO A 19 -5.777 9.315 -1.636 1.00 0.00 C ATOM 272 C PRO A 19 -5.454 8.888 -3.071 1.00 0.00 C ATOM 273 O PRO A 19 -4.311 8.697 -3.433 1.00 0.00 O ATOM 274 CB PRO A 19 -5.779 10.831 -1.509 1.00 0.00 C ATOM 275 CG PRO A 19 -5.234 11.078 -0.067 1.00 0.00 C ATOM 276 CD PRO A 19 -4.266 9.896 0.229 1.00 0.00 C ATOM 0 HA PRO A 19 -6.748 8.878 -1.405 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.145 11.298 -2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.780 11.243 -1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.714 12.034 -0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.047 11.109 0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.225 10.165 0.048 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.334 9.562 1.264 1.00 0.00 H new ATOM 284 N CYS A 20 -6.462 8.739 -3.887 1.00 0.00 N ATOM 285 CA CYS A 20 -6.235 8.324 -5.298 1.00 0.00 C ATOM 286 C CYS A 20 -6.461 9.520 -6.228 1.00 0.00 C ATOM 287 O CYS A 20 -5.526 10.160 -6.669 1.00 0.00 O ATOM 288 CB CYS A 20 -7.218 7.209 -5.660 1.00 0.00 C ATOM 289 SG CYS A 20 -6.298 5.744 -6.197 1.00 0.00 S ATOM 0 H CYS A 20 -7.439 8.888 -3.634 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.212 7.965 -5.411 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.841 6.965 -4.799 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.887 7.543 -6.453 1.00 0.00 H new ATOM 0 HG CYS A 20 -5.032 5.914 -5.955 1.00 0.00 H new ATOM 295 N GLU A 21 -7.694 9.825 -6.530 1.00 0.00 N ATOM 296 CA GLU A 21 -7.980 10.976 -7.433 1.00 0.00 C ATOM 297 C GLU A 21 -8.327 12.208 -6.596 1.00 0.00 C ATOM 298 O GLU A 21 -9.217 12.965 -6.929 1.00 0.00 O ATOM 299 CB GLU A 21 -9.162 10.631 -8.342 1.00 0.00 C ATOM 300 CG GLU A 21 -8.795 10.933 -9.795 1.00 0.00 C ATOM 301 CD GLU A 21 -10.068 11.187 -10.603 1.00 0.00 C ATOM 302 OE1 GLU A 21 -11.063 11.558 -10.001 1.00 0.00 O ATOM 303 OE2 GLU A 21 -10.029 11.007 -11.809 1.00 0.00 O ATOM 0 H GLU A 21 -8.516 9.326 -6.190 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.101 11.185 -8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.423 9.578 -8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.039 11.208 -8.050 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.142 11.805 -9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.242 10.097 -10.222 1.00 0.00 H new ATOM 310 N LYS A 22 -7.634 12.416 -5.509 1.00 0.00 N ATOM 311 CA LYS A 22 -7.932 13.598 -4.653 1.00 0.00 C ATOM 312 C LYS A 22 -9.415 13.586 -4.281 1.00 0.00 C ATOM 313 O LYS A 22 -9.981 14.594 -3.904 1.00 0.00 O ATOM 314 CB LYS A 22 -7.610 14.881 -5.423 1.00 0.00 C ATOM 315 CG LYS A 22 -7.946 16.095 -4.556 1.00 0.00 C ATOM 316 CD LYS A 22 -6.707 16.981 -4.414 1.00 0.00 C ATOM 317 CE LYS A 22 -6.934 18.002 -3.298 1.00 0.00 C ATOM 318 NZ LYS A 22 -7.934 19.012 -3.744 1.00 0.00 N ATOM 0 H LYS A 22 -6.876 11.819 -5.178 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.325 13.558 -3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.555 14.898 -5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.181 14.914 -6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.761 16.662 -5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.288 15.770 -3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.833 16.369 -4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.504 17.494 -5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.286 17.500 -2.397 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.995 18.493 -3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.038 19.744 -3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.612 19.451 -4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.851 18.547 -3.901 1.00 0.00 H new ATOM 332 N SER A 23 -10.049 12.451 -4.384 1.00 0.00 N ATOM 333 CA SER A 23 -11.495 12.368 -4.038 1.00 0.00 C ATOM 334 C SER A 23 -11.684 11.399 -2.872 1.00 0.00 C ATOM 335 O SER A 23 -10.787 11.180 -2.083 1.00 0.00 O ATOM 336 CB SER A 23 -12.279 11.864 -5.251 1.00 0.00 C ATOM 337 OG SER A 23 -13.396 12.714 -5.475 1.00 0.00 O ATOM 0 H SER A 23 -9.627 11.576 -4.694 1.00 0.00 H new ATOM 0 HA SER A 23 -11.859 13.355 -3.753 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.637 11.848 -6.132 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.614 10.841 -5.082 1.00 0.00 H new ATOM 0 HG SER A 23 -13.899 12.395 -6.253 1.00 0.00 H new ATOM 343 N ASP A 24 -12.844 10.811 -2.760 1.00 0.00 N ATOM 344 CA ASP A 24 -13.083 9.850 -1.649 1.00 0.00 C ATOM 345 C ASP A 24 -12.437 8.508 -2.000 1.00 0.00 C ATOM 346 O ASP A 24 -12.537 7.548 -1.261 1.00 0.00 O ATOM 347 CB ASP A 24 -14.589 9.658 -1.455 1.00 0.00 C ATOM 348 CG ASP A 24 -14.980 10.088 -0.040 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.528 9.453 0.898 1.00 0.00 O ATOM 350 OD2 ASP A 24 -15.725 11.047 0.082 1.00 0.00 O ATOM 0 H ASP A 24 -13.634 10.955 -3.389 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.648 10.237 -0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.139 10.246 -2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.857 8.614 -1.616 1.00 0.00 H new ATOM 355 N ALA A 25 -11.776 8.434 -3.124 1.00 0.00 N ATOM 356 CA ALA A 25 -11.125 7.157 -3.522 1.00 0.00 C ATOM 357 C ALA A 25 -9.719 7.097 -2.925 1.00 0.00 C ATOM 358 O ALA A 25 -9.101 8.110 -2.665 1.00 0.00 O ATOM 359 CB ALA A 25 -11.034 7.092 -5.048 1.00 0.00 C ATOM 0 H ALA A 25 -11.660 9.204 -3.783 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.712 6.315 -3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.557 6.158 -5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.036 7.140 -5.475 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.444 7.932 -5.413 1.00 0.00 H new ATOM 365 N TYR A 26 -9.208 5.918 -2.709 1.00 0.00 N ATOM 366 CA TYR A 26 -7.841 5.793 -2.132 1.00 0.00 C ATOM 367 C TYR A 26 -7.020 4.831 -2.995 1.00 0.00 C ATOM 368 O TYR A 26 -7.389 4.523 -4.110 1.00 0.00 O ATOM 369 CB TYR A 26 -7.937 5.259 -0.699 1.00 0.00 C ATOM 370 CG TYR A 26 -9.099 4.301 -0.586 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.412 4.785 -0.617 1.00 0.00 C ATOM 372 CD2 TYR A 26 -8.862 2.929 -0.443 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.488 3.896 -0.506 1.00 0.00 C ATOM 374 CE2 TYR A 26 -9.939 2.040 -0.331 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.251 2.524 -0.363 1.00 0.00 C ATOM 376 OH TYR A 26 -12.312 1.648 -0.253 1.00 0.00 O ATOM 0 H TYR A 26 -9.678 5.035 -2.907 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.355 6.769 -2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.010 4.754 -0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.067 6.086 -0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.595 5.844 -0.726 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.849 2.556 -0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.501 4.269 -0.531 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.756 0.981 -0.220 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.973 0.733 -0.162 1.00 0.00 H new ATOM 386 N PHE A 27 -5.906 4.362 -2.504 1.00 0.00 N ATOM 387 CA PHE A 27 -5.074 3.433 -3.322 1.00 0.00 C ATOM 388 C PHE A 27 -5.071 2.031 -2.703 1.00 0.00 C ATOM 389 O PHE A 27 -4.235 1.701 -1.887 1.00 0.00 O ATOM 390 CB PHE A 27 -3.641 3.963 -3.393 1.00 0.00 C ATOM 391 CG PHE A 27 -3.432 4.658 -4.715 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.894 4.066 -5.896 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.777 5.894 -4.762 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.702 4.711 -7.124 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.585 6.539 -5.990 1.00 0.00 C ATOM 396 CZ PHE A 27 -3.047 5.947 -7.171 1.00 0.00 C ATOM 0 H PHE A 27 -5.537 4.579 -1.578 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.496 3.373 -4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.456 4.655 -2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.932 3.143 -3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.399 3.112 -5.860 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.420 6.350 -3.851 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.059 4.255 -8.035 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.080 7.493 -6.026 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.898 6.444 -8.118 1.00 0.00 H new ATOM 406 N VAL A 28 -5.993 1.199 -3.095 1.00 0.00 N ATOM 407 CA VAL A 28 -6.030 -0.182 -2.544 1.00 0.00 C ATOM 408 C VAL A 28 -4.988 -1.037 -3.268 1.00 0.00 C ATOM 409 O VAL A 28 -5.143 -1.377 -4.424 1.00 0.00 O ATOM 410 CB VAL A 28 -7.427 -0.778 -2.751 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.378 -2.297 -2.560 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.393 -0.173 -1.733 1.00 0.00 C ATOM 0 H VAL A 28 -6.723 1.416 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.806 -0.161 -1.477 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.767 -0.552 -3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.374 -2.715 -2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.690 -2.733 -3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.035 -2.526 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.387 -0.596 -1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.047 -0.399 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.435 0.908 -1.869 1.00 0.00 H new ATOM 422 N LEU A 29 -3.925 -1.385 -2.596 1.00 0.00 N ATOM 423 CA LEU A 29 -2.871 -2.214 -3.247 1.00 0.00 C ATOM 424 C LEU A 29 -3.458 -3.563 -3.663 1.00 0.00 C ATOM 425 O LEU A 29 -3.930 -4.328 -2.845 1.00 0.00 O ATOM 426 CB LEU A 29 -1.718 -2.436 -2.266 1.00 0.00 C ATOM 427 CG LEU A 29 -0.704 -3.407 -2.874 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.412 -2.621 -3.563 1.00 0.00 C ATOM 429 CD2 LEU A 29 -0.106 -4.276 -1.766 1.00 0.00 C ATOM 0 H LEU A 29 -3.741 -1.132 -1.625 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.500 -1.696 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.235 -1.486 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.099 -2.835 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.204 -4.041 -3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.133 -3.315 -3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.013 -2.001 -4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.913 -1.985 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.617 -4.969 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.392 -3.640 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.901 -4.839 -1.276 1.00 0.00 H new ATOM 441 N ARG A 30 -3.423 -3.862 -4.932 1.00 0.00 N ATOM 442 CA ARG A 30 -3.966 -5.163 -5.410 1.00 0.00 C ATOM 443 C ARG A 30 -2.862 -5.925 -6.145 1.00 0.00 C ATOM 444 O ARG A 30 -1.705 -5.553 -6.102 1.00 0.00 O ATOM 445 CB ARG A 30 -5.136 -4.908 -6.363 1.00 0.00 C ATOM 446 CG ARG A 30 -6.385 -4.555 -5.553 1.00 0.00 C ATOM 447 CD ARG A 30 -7.047 -3.314 -6.151 1.00 0.00 C ATOM 448 NE ARG A 30 -8.367 -3.688 -6.734 1.00 0.00 N ATOM 449 CZ ARG A 30 -8.425 -4.523 -7.735 1.00 0.00 C ATOM 450 NH1 ARG A 30 -7.504 -4.500 -8.659 1.00 0.00 N ATOM 451 NH2 ARG A 30 -9.404 -5.383 -7.812 1.00 0.00 N ATOM 0 H ARG A 30 -3.040 -3.259 -5.660 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.315 -5.751 -4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.891 -4.095 -7.047 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.322 -5.792 -6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.084 -5.392 -5.559 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.117 -4.371 -4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.179 -2.553 -5.382 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.407 -2.882 -6.920 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.225 -3.291 -6.350 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.738 -3.829 -8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.550 -5.153 -9.441 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.124 -5.402 -7.090 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.449 -6.036 -8.595 1.00 0.00 H new ATOM 465 N ASP A 31 -3.205 -6.987 -6.820 1.00 0.00 N ATOM 466 CA ASP A 31 -2.168 -7.765 -7.554 1.00 0.00 C ATOM 467 C ASP A 31 -2.775 -8.346 -8.833 1.00 0.00 C ATOM 468 O ASP A 31 -3.522 -9.303 -8.798 1.00 0.00 O ATOM 469 CB ASP A 31 -1.662 -8.904 -6.666 1.00 0.00 C ATOM 470 CG ASP A 31 -2.803 -9.887 -6.396 1.00 0.00 C ATOM 471 OD1 ASP A 31 -3.805 -9.464 -5.842 1.00 0.00 O ATOM 472 OD2 ASP A 31 -2.656 -11.046 -6.749 1.00 0.00 O ATOM 0 H ASP A 31 -4.156 -7.349 -6.895 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.337 -7.109 -7.813 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.833 -9.418 -7.153 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.282 -8.505 -5.726 1.00 0.00 H new ATOM 477 N GLY A 32 -2.459 -7.775 -9.963 1.00 0.00 N ATOM 478 CA GLY A 32 -3.017 -8.296 -11.242 1.00 0.00 C ATOM 479 C GLY A 32 -2.452 -9.692 -11.515 1.00 0.00 C ATOM 480 O GLY A 32 -2.182 -10.451 -10.605 1.00 0.00 O ATOM 0 H GLY A 32 -1.839 -6.971 -10.055 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.105 -8.337 -11.186 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.765 -7.623 -12.062 1.00 0.00 H new ATOM 484 N ALA A 33 -2.272 -10.037 -12.761 1.00 0.00 N ATOM 485 CA ALA A 33 -1.724 -11.383 -13.088 1.00 0.00 C ATOM 486 C ALA A 33 -0.266 -11.247 -13.531 1.00 0.00 C ATOM 487 O ALA A 33 0.344 -12.195 -13.986 1.00 0.00 O ATOM 488 CB ALA A 33 -2.546 -12.006 -14.219 1.00 0.00 C ATOM 0 H ALA A 33 -2.481 -9.445 -13.565 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.776 -12.021 -12.206 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.146 -12.991 -14.459 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.585 -12.103 -13.903 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.493 -11.368 -15.101 1.00 0.00 H new ATOM 494 N ALA A 34 0.298 -10.077 -13.404 1.00 0.00 N ATOM 495 CA ALA A 34 1.716 -9.885 -13.818 1.00 0.00 C ATOM 496 C ALA A 34 2.564 -9.544 -12.592 1.00 0.00 C ATOM 497 O ALA A 34 3.607 -10.125 -12.365 1.00 0.00 O ATOM 498 CB ALA A 34 1.801 -8.741 -14.831 1.00 0.00 C ATOM 0 H ALA A 34 -0.162 -9.246 -13.032 1.00 0.00 H new ATOM 0 HA ALA A 34 2.089 -10.803 -14.273 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.838 -8.600 -15.134 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.197 -8.984 -15.705 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.428 -7.823 -14.376 1.00 0.00 H new ATOM 504 N GLY A 35 2.127 -8.605 -11.798 1.00 0.00 N ATOM 505 CA GLY A 35 2.910 -8.228 -10.587 1.00 0.00 C ATOM 506 C GLY A 35 1.988 -7.553 -9.570 1.00 0.00 C ATOM 507 O GLY A 35 0.803 -7.819 -9.518 1.00 0.00 O ATOM 0 H GLY A 35 1.262 -8.083 -11.935 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.367 -9.114 -10.147 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.721 -7.554 -10.861 1.00 0.00 H new ATOM 511 N VAL A 36 2.522 -6.680 -8.760 1.00 0.00 N ATOM 512 CA VAL A 36 1.676 -5.987 -7.747 1.00 0.00 C ATOM 513 C VAL A 36 1.522 -4.515 -8.131 1.00 0.00 C ATOM 514 O VAL A 36 2.218 -4.013 -8.992 1.00 0.00 O ATOM 515 CB VAL A 36 2.343 -6.087 -6.373 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.657 -7.552 -6.064 1.00 0.00 C ATOM 517 CG2 VAL A 36 3.642 -5.279 -6.378 1.00 0.00 C ATOM 0 H VAL A 36 3.507 -6.417 -8.756 1.00 0.00 H new ATOM 0 HA VAL A 36 0.694 -6.458 -7.711 1.00 0.00 H new ATOM 0 HB VAL A 36 1.670 -5.691 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.132 -7.624 -5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.733 -8.130 -6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.330 -7.948 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.118 -5.349 -5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.315 -5.676 -7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.420 -4.235 -6.599 1.00 0.00 H new ATOM 527 N PHE A 37 0.617 -3.818 -7.501 1.00 0.00 N ATOM 528 CA PHE A 37 0.423 -2.378 -7.834 1.00 0.00 C ATOM 529 C PHE A 37 -0.641 -1.775 -6.911 1.00 0.00 C ATOM 530 O PHE A 37 -1.149 -2.430 -6.024 1.00 0.00 O ATOM 531 CB PHE A 37 -0.014 -2.248 -9.299 1.00 0.00 C ATOM 532 CG PHE A 37 -1.486 -2.573 -9.438 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.034 -3.672 -8.764 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.301 -1.771 -10.244 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.397 -3.967 -8.897 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.664 -2.066 -10.377 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.211 -3.164 -9.703 1.00 0.00 C ATOM 0 H PHE A 37 0.004 -4.182 -6.771 1.00 0.00 H new ATOM 0 HA PHE A 37 1.360 -1.840 -7.692 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.177 -1.235 -9.654 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.575 -2.921 -9.922 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.406 -4.292 -8.142 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.879 -0.924 -10.764 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.819 -4.814 -8.377 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.293 -1.446 -10.999 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.262 -3.391 -9.805 1.00 0.00 H new ATOM 547 N LEU A 38 -0.977 -0.529 -7.111 1.00 0.00 N ATOM 548 CA LEU A 38 -2.004 0.116 -6.242 1.00 0.00 C ATOM 549 C LEU A 38 -3.051 0.811 -7.115 1.00 0.00 C ATOM 550 O LEU A 38 -2.836 1.899 -7.611 1.00 0.00 O ATOM 551 CB LEU A 38 -1.335 1.151 -5.334 1.00 0.00 C ATOM 552 CG LEU A 38 0.072 0.679 -4.964 1.00 0.00 C ATOM 553 CD1 LEU A 38 1.107 1.543 -5.686 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.269 0.808 -3.451 1.00 0.00 C ATOM 0 H LEU A 38 -0.585 0.070 -7.838 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.486 -0.647 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.284 2.115 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.929 1.296 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 38 0.196 -0.362 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.110 1.206 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.966 1.455 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.984 2.584 -5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.271 0.472 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.145 1.850 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.469 0.194 -2.934 1.00 0.00 H new ATOM 566 N ALA A 39 -4.185 0.195 -7.300 1.00 0.00 N ATOM 567 CA ALA A 39 -5.245 0.825 -8.134 1.00 0.00 C ATOM 568 C ALA A 39 -6.200 1.605 -7.231 1.00 0.00 C ATOM 569 O ALA A 39 -6.345 1.311 -6.059 1.00 0.00 O ATOM 570 CB ALA A 39 -6.027 -0.257 -8.883 1.00 0.00 C ATOM 0 H ALA A 39 -4.423 -0.717 -6.910 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.784 1.500 -8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.802 0.209 -9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.348 -0.817 -9.526 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.489 -0.935 -8.165 1.00 0.00 H new ATOM 576 N ALA A 40 -6.855 2.597 -7.765 1.00 0.00 N ATOM 577 CA ALA A 40 -7.802 3.392 -6.937 1.00 0.00 C ATOM 578 C ALA A 40 -8.957 2.491 -6.493 1.00 0.00 C ATOM 579 O ALA A 40 -9.451 1.681 -7.251 1.00 0.00 O ATOM 580 CB ALA A 40 -8.343 4.558 -7.766 1.00 0.00 C ATOM 0 H ALA A 40 -6.775 2.891 -8.738 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.289 3.784 -6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.037 5.142 -7.162 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.516 5.193 -8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.862 4.171 -8.643 1.00 0.00 H new ATOM 586 N ASN A 41 -9.388 2.619 -5.268 1.00 0.00 N ATOM 587 CA ASN A 41 -10.505 1.763 -4.778 1.00 0.00 C ATOM 588 C ASN A 41 -11.806 2.178 -5.470 1.00 0.00 C ATOM 589 O ASN A 41 -12.819 1.516 -5.355 1.00 0.00 O ATOM 590 CB ASN A 41 -10.650 1.931 -3.263 1.00 0.00 C ATOM 591 CG ASN A 41 -11.985 1.338 -2.804 1.00 0.00 C ATOM 592 OD1 ASN A 41 -12.106 0.141 -2.637 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.999 2.132 -2.593 1.00 0.00 N ATOM 0 H ASN A 41 -9.015 3.279 -4.586 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.292 0.719 -5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.825 1.434 -2.752 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.600 2.987 -2.998 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.893 1.747 -2.288 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.897 3.137 -2.733 1.00 0.00 H new ATOM 600 N THR A 42 -11.788 3.267 -6.188 1.00 0.00 N ATOM 601 CA THR A 42 -13.024 3.717 -6.886 1.00 0.00 C ATOM 602 C THR A 42 -12.935 3.360 -8.372 1.00 0.00 C ATOM 603 O THR A 42 -13.839 3.631 -9.135 1.00 0.00 O ATOM 604 CB THR A 42 -13.173 5.234 -6.733 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.975 5.871 -7.156 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.446 5.575 -5.268 1.00 0.00 C ATOM 0 H THR A 42 -10.972 3.864 -6.321 1.00 0.00 H new ATOM 0 HA THR A 42 -13.889 3.220 -6.446 1.00 0.00 H new ATOM 0 HB THR A 42 -14.005 5.582 -7.345 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.622 5.412 -7.946 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.552 6.654 -5.159 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.365 5.086 -4.946 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.616 5.228 -4.653 1.00 0.00 H new ATOM 614 N PHE A 43 -11.848 2.751 -8.783 1.00 0.00 N ATOM 615 CA PHE A 43 -11.681 2.364 -10.217 1.00 0.00 C ATOM 616 C PHE A 43 -13.028 1.907 -10.793 1.00 0.00 C ATOM 617 O PHE A 43 -13.812 1.288 -10.102 1.00 0.00 O ATOM 618 CB PHE A 43 -10.668 1.217 -10.305 1.00 0.00 C ATOM 619 CG PHE A 43 -10.716 0.589 -11.678 1.00 0.00 C ATOM 620 CD1 PHE A 43 -11.762 -0.276 -12.019 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.710 0.871 -12.611 1.00 0.00 C ATOM 622 CE1 PHE A 43 -11.803 -0.860 -13.291 1.00 0.00 C ATOM 623 CE2 PHE A 43 -9.751 0.289 -13.883 1.00 0.00 C ATOM 624 CZ PHE A 43 -10.797 -0.576 -14.224 1.00 0.00 C ATOM 0 H PHE A 43 -11.064 2.504 -8.180 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.324 3.220 -10.790 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.664 1.591 -10.102 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.888 0.467 -9.545 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.538 -0.493 -11.300 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.902 1.538 -12.349 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.610 -1.529 -13.553 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.975 0.507 -14.602 1.00 0.00 H new ATOM 0 HZ PHE A 43 -10.829 -1.024 -15.206 1.00 0.00 H new ATOM 634 N PRO A 44 -13.257 2.220 -12.047 1.00 0.00 N ATOM 635 CA PRO A 44 -12.307 2.964 -12.868 1.00 0.00 C ATOM 636 C PRO A 44 -12.328 4.454 -12.508 1.00 0.00 C ATOM 637 O PRO A 44 -11.599 5.244 -13.073 1.00 0.00 O ATOM 638 CB PRO A 44 -12.804 2.760 -14.294 1.00 0.00 C ATOM 639 CG PRO A 44 -14.336 2.513 -14.115 1.00 0.00 C ATOM 640 CD PRO A 44 -14.500 1.829 -12.726 1.00 0.00 C ATOM 0 HA PRO A 44 -11.281 2.624 -12.725 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.608 3.634 -14.916 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.314 1.912 -14.772 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.890 3.451 -14.156 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.725 1.878 -14.911 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.384 2.185 -12.197 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.595 0.747 -12.812 1.00 0.00 H new ATOM 648 N LYS A 45 -13.159 4.844 -11.578 1.00 0.00 N ATOM 649 CA LYS A 45 -13.229 6.279 -11.185 1.00 0.00 C ATOM 650 C LYS A 45 -11.816 6.865 -11.114 1.00 0.00 C ATOM 651 O LYS A 45 -11.613 8.045 -11.314 1.00 0.00 O ATOM 652 CB LYS A 45 -13.901 6.397 -9.816 1.00 0.00 C ATOM 653 CG LYS A 45 -13.700 7.810 -9.272 1.00 0.00 C ATOM 654 CD LYS A 45 -14.579 8.014 -8.037 1.00 0.00 C ATOM 655 CE LYS A 45 -15.522 9.196 -8.270 1.00 0.00 C ATOM 656 NZ LYS A 45 -16.886 8.688 -8.591 1.00 0.00 N ATOM 0 H LYS A 45 -13.794 4.227 -11.072 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.809 6.830 -11.926 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.965 6.176 -9.901 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.478 5.666 -9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.652 7.966 -9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.953 8.544 -10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.154 7.111 -7.834 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.957 8.199 -7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.557 9.827 -7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.151 9.815 -9.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.527 9.491 -8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.845 8.103 -9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.239 8.115 -7.798 1.00 0.00 H new ATOM 670 N SER A 46 -10.839 6.049 -10.831 1.00 0.00 N ATOM 671 CA SER A 46 -9.443 6.561 -10.750 1.00 0.00 C ATOM 672 C SER A 46 -8.477 5.484 -11.242 1.00 0.00 C ATOM 673 O SER A 46 -8.155 4.552 -10.532 1.00 0.00 O ATOM 674 CB SER A 46 -9.116 6.919 -9.301 1.00 0.00 C ATOM 675 OG SER A 46 -10.081 6.329 -8.441 1.00 0.00 O ATOM 0 H SER A 46 -10.947 5.051 -10.652 1.00 0.00 H new ATOM 0 HA SER A 46 -9.343 7.449 -11.374 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.118 6.565 -9.043 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.113 8.002 -9.174 1.00 0.00 H new ATOM 0 HG SER A 46 -10.797 6.974 -8.261 1.00 0.00 H new ATOM 681 N ARG A 47 -8.009 5.603 -12.454 1.00 0.00 N ATOM 682 CA ARG A 47 -7.062 4.586 -12.989 1.00 0.00 C ATOM 683 C ARG A 47 -5.630 5.010 -12.663 1.00 0.00 C ATOM 684 O ARG A 47 -4.731 4.866 -13.468 1.00 0.00 O ATOM 685 CB ARG A 47 -7.231 4.478 -14.507 1.00 0.00 C ATOM 686 CG ARG A 47 -7.637 3.050 -14.874 1.00 0.00 C ATOM 687 CD ARG A 47 -7.311 2.788 -16.346 1.00 0.00 C ATOM 688 NE ARG A 47 -8.365 1.922 -16.943 1.00 0.00 N ATOM 689 CZ ARG A 47 -8.045 0.772 -17.468 1.00 0.00 C ATOM 690 NH1 ARG A 47 -7.246 -0.038 -16.827 1.00 0.00 N ATOM 691 NH2 ARG A 47 -8.521 0.428 -18.633 1.00 0.00 N ATOM 0 H ARG A 47 -8.242 6.360 -13.096 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.269 3.618 -12.533 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.988 5.183 -14.850 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.299 4.743 -15.007 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.109 2.337 -14.241 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.703 2.907 -14.696 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.250 3.731 -16.889 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.337 2.306 -16.433 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.338 2.228 -16.941 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.873 0.229 -15.916 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.995 -0.938 -17.237 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.145 1.059 -19.136 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.269 -0.472 -19.041 1.00 0.00 H new ATOM 705 N GLU A 48 -5.411 5.533 -11.487 1.00 0.00 N ATOM 706 CA GLU A 48 -4.037 5.967 -11.111 1.00 0.00 C ATOM 707 C GLU A 48 -3.268 4.776 -10.536 1.00 0.00 C ATOM 708 O GLU A 48 -2.672 4.861 -9.481 1.00 0.00 O ATOM 709 CB GLU A 48 -4.121 7.077 -10.061 1.00 0.00 C ATOM 710 CG GLU A 48 -4.818 8.298 -10.665 1.00 0.00 C ATOM 711 CD GLU A 48 -4.421 9.551 -9.883 1.00 0.00 C ATOM 712 OE1 GLU A 48 -3.470 9.474 -9.122 1.00 0.00 O ATOM 713 OE2 GLU A 48 -5.073 10.567 -10.058 1.00 0.00 O ATOM 0 H GLU A 48 -6.124 5.678 -10.772 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.519 6.343 -11.994 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.671 6.726 -9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.121 7.347 -9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.540 8.407 -11.713 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.899 8.165 -10.634 1.00 0.00 H new ATOM 720 N THR A 49 -3.277 3.668 -11.223 1.00 0.00 N ATOM 721 CA THR A 49 -2.549 2.471 -10.716 1.00 0.00 C ATOM 722 C THR A 49 -1.117 2.477 -11.254 1.00 0.00 C ATOM 723 O THR A 49 -0.880 2.726 -12.419 1.00 0.00 O ATOM 724 CB THR A 49 -3.263 1.197 -11.183 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.712 0.777 -12.422 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.758 1.474 -11.355 1.00 0.00 C ATOM 0 H THR A 49 -3.757 3.539 -12.114 1.00 0.00 H new ATOM 0 HA THR A 49 -2.529 2.497 -9.626 1.00 0.00 H new ATOM 0 HB THR A 49 -3.128 0.413 -10.438 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.166 -0.038 -12.722 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.261 0.566 -11.687 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.180 1.795 -10.403 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.899 2.259 -12.098 1.00 0.00 H new ATOM 734 N ARG A 50 -0.158 2.203 -10.412 1.00 0.00 N ATOM 735 CA ARG A 50 1.260 2.190 -10.872 1.00 0.00 C ATOM 736 C ARG A 50 2.059 1.197 -10.025 1.00 0.00 C ATOM 737 O ARG A 50 1.504 0.427 -9.268 1.00 0.00 O ATOM 738 CB ARG A 50 1.859 3.590 -10.719 1.00 0.00 C ATOM 739 CG ARG A 50 2.963 3.789 -11.760 1.00 0.00 C ATOM 740 CD ARG A 50 2.726 5.101 -12.510 1.00 0.00 C ATOM 741 NE ARG A 50 3.190 4.958 -13.919 1.00 0.00 N ATOM 742 CZ ARG A 50 3.068 5.955 -14.751 1.00 0.00 C ATOM 743 NH1 ARG A 50 1.960 6.114 -15.422 1.00 0.00 N ATOM 744 NH2 ARG A 50 4.055 6.795 -14.911 1.00 0.00 N ATOM 0 H ARG A 50 -0.295 1.987 -9.425 1.00 0.00 H new ATOM 0 HA ARG A 50 1.301 1.891 -11.919 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.083 4.345 -10.847 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.264 3.716 -9.715 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.938 3.807 -11.273 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.972 2.954 -12.460 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.667 5.358 -12.489 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.261 5.914 -12.020 1.00 0.00 H new ATOM 0 HE ARG A 50 3.603 4.080 -14.233 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.189 5.458 -15.296 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.865 6.894 -16.073 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.920 6.671 -14.386 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.961 7.575 -15.561 1.00 0.00 H new ATOM 758 N ALA A 51 3.358 1.207 -10.146 1.00 0.00 N ATOM 759 CA ALA A 51 4.186 0.261 -9.344 1.00 0.00 C ATOM 760 C ALA A 51 4.330 0.801 -7.914 1.00 0.00 C ATOM 761 O ALA A 51 4.507 1.988 -7.723 1.00 0.00 O ATOM 762 CB ALA A 51 5.566 0.127 -9.983 1.00 0.00 C ATOM 0 H ALA A 51 3.881 1.827 -10.764 1.00 0.00 H new ATOM 0 HA ALA A 51 3.705 -0.717 -9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.172 -0.564 -9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.461 -0.253 -10.999 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.051 1.103 -10.009 1.00 0.00 H new ATOM 768 N PRO A 52 4.237 -0.083 -6.949 1.00 0.00 N ATOM 769 CA PRO A 52 4.343 0.296 -5.544 1.00 0.00 C ATOM 770 C PRO A 52 5.652 1.047 -5.266 1.00 0.00 C ATOM 771 O PRO A 52 6.650 0.450 -4.912 1.00 0.00 O ATOM 772 CB PRO A 52 4.331 -1.028 -4.784 1.00 0.00 C ATOM 773 CG PRO A 52 3.637 -2.015 -5.771 1.00 0.00 C ATOM 774 CD PRO A 52 4.016 -1.519 -7.192 1.00 0.00 C ATOM 0 HA PRO A 52 3.534 0.964 -5.247 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.340 -1.355 -4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.781 -0.946 -3.846 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.979 -3.037 -5.608 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.556 -2.014 -5.631 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.909 -2.013 -7.575 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.219 -1.695 -7.915 1.00 0.00 H new ATOM 782 N LEU A 53 5.651 2.348 -5.399 1.00 0.00 N ATOM 783 CA LEU A 53 6.886 3.131 -5.111 1.00 0.00 C ATOM 784 C LEU A 53 7.534 2.579 -3.835 1.00 0.00 C ATOM 785 O LEU A 53 6.992 2.700 -2.756 1.00 0.00 O ATOM 786 CB LEU A 53 6.518 4.596 -4.893 1.00 0.00 C ATOM 787 CG LEU A 53 7.503 5.496 -5.645 1.00 0.00 C ATOM 788 CD1 LEU A 53 8.929 4.966 -5.497 1.00 0.00 C ATOM 789 CD2 LEU A 53 7.134 5.538 -7.127 1.00 0.00 C ATOM 0 H LEU A 53 4.847 2.901 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 53 7.579 3.051 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.502 4.781 -5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.537 4.831 -3.829 1.00 0.00 H new ATOM 0 HG LEU A 53 7.450 6.499 -5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.617 5.617 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.202 4.945 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.987 3.957 -5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.837 6.179 -7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.177 4.531 -7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.125 5.934 -7.240 1.00 0.00 H new ATOM 801 N VAL A 54 8.681 1.969 -3.947 1.00 0.00 N ATOM 802 CA VAL A 54 9.350 1.402 -2.742 1.00 0.00 C ATOM 803 C VAL A 54 9.342 2.439 -1.619 1.00 0.00 C ATOM 804 O VAL A 54 9.416 2.104 -0.453 1.00 0.00 O ATOM 805 CB VAL A 54 10.795 1.020 -3.084 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.294 -0.033 -2.095 1.00 0.00 C ATOM 807 CG2 VAL A 54 10.856 0.442 -4.499 1.00 0.00 C ATOM 0 H VAL A 54 9.186 1.838 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 54 8.813 0.511 -2.415 1.00 0.00 H new ATOM 0 HB VAL A 54 11.422 1.910 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.321 -0.304 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.256 0.371 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.661 -0.918 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.885 0.172 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.225 -0.445 -4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.502 1.187 -5.212 1.00 0.00 H new ATOM 817 N GLU A 55 9.249 3.697 -1.955 1.00 0.00 N ATOM 818 CA GLU A 55 9.232 4.744 -0.896 1.00 0.00 C ATOM 819 C GLU A 55 7.872 4.734 -0.201 1.00 0.00 C ATOM 820 O GLU A 55 7.786 4.737 1.010 1.00 0.00 O ATOM 821 CB GLU A 55 9.482 6.119 -1.524 1.00 0.00 C ATOM 822 CG GLU A 55 8.236 6.575 -2.287 1.00 0.00 C ATOM 823 CD GLU A 55 8.531 7.892 -3.006 1.00 0.00 C ATOM 824 OE1 GLU A 55 8.606 8.908 -2.336 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.675 7.862 -4.218 1.00 0.00 O ATOM 0 H GLU A 55 9.184 4.043 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 55 10.016 4.538 -0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.730 6.844 -0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.336 6.071 -2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.939 5.813 -3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.401 6.704 -1.598 1.00 0.00 H new ATOM 832 N GLU A 56 6.807 4.707 -0.953 1.00 0.00 N ATOM 833 CA GLU A 56 5.460 4.680 -0.321 1.00 0.00 C ATOM 834 C GLU A 56 5.353 3.424 0.541 1.00 0.00 C ATOM 835 O GLU A 56 4.853 3.455 1.648 1.00 0.00 O ATOM 836 CB GLU A 56 4.382 4.653 -1.408 1.00 0.00 C ATOM 837 CG GLU A 56 3.844 6.068 -1.629 1.00 0.00 C ATOM 838 CD GLU A 56 4.169 6.521 -3.053 1.00 0.00 C ATOM 839 OE1 GLU A 56 4.089 5.698 -3.949 1.00 0.00 O ATOM 840 OE2 GLU A 56 4.495 7.685 -3.222 1.00 0.00 O ATOM 0 H GLU A 56 6.811 4.702 -1.973 1.00 0.00 H new ATOM 0 HA GLU A 56 5.318 5.568 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.797 4.261 -2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.571 3.986 -1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.766 6.088 -1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.288 6.754 -0.908 1.00 0.00 H new ATOM 847 N LEU A 57 5.830 2.318 0.040 1.00 0.00 N ATOM 848 CA LEU A 57 5.771 1.055 0.826 1.00 0.00 C ATOM 849 C LEU A 57 6.551 1.231 2.131 1.00 0.00 C ATOM 850 O LEU A 57 6.118 0.808 3.184 1.00 0.00 O ATOM 851 CB LEU A 57 6.397 -0.081 0.014 1.00 0.00 C ATOM 852 CG LEU A 57 5.493 -0.425 -1.168 1.00 0.00 C ATOM 853 CD1 LEU A 57 6.203 -1.429 -2.076 1.00 0.00 C ATOM 854 CD2 LEU A 57 4.194 -1.042 -0.649 1.00 0.00 C ATOM 0 H LEU A 57 6.259 2.235 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 57 4.731 0.815 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.383 0.215 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.537 -0.959 0.645 1.00 0.00 H new ATOM 0 HG LEU A 57 5.269 0.481 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.559 -1.675 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.132 -0.993 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.425 -2.335 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.547 -1.289 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.421 -1.948 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.687 -0.329 0.002 1.00 0.00 H new ATOM 866 N TYR A 58 7.699 1.852 2.071 1.00 0.00 N ATOM 867 CA TYR A 58 8.500 2.049 3.311 1.00 0.00 C ATOM 868 C TYR A 58 7.677 2.852 4.320 1.00 0.00 C ATOM 869 O TYR A 58 7.536 2.471 5.465 1.00 0.00 O ATOM 870 CB TYR A 58 9.784 2.808 2.975 1.00 0.00 C ATOM 871 CG TYR A 58 10.779 2.633 4.098 1.00 0.00 C ATOM 872 CD1 TYR A 58 11.604 1.503 4.133 1.00 0.00 C ATOM 873 CD2 TYR A 58 10.877 3.603 5.104 1.00 0.00 C ATOM 874 CE1 TYR A 58 12.526 1.341 5.173 1.00 0.00 C ATOM 875 CE2 TYR A 58 11.800 3.441 6.144 1.00 0.00 C ATOM 876 CZ TYR A 58 12.624 2.310 6.178 1.00 0.00 C ATOM 877 OH TYR A 58 13.533 2.150 7.204 1.00 0.00 O ATOM 0 H TYR A 58 8.114 2.230 1.219 1.00 0.00 H new ATOM 0 HA TYR A 58 8.757 1.080 3.739 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.205 2.437 2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.566 3.866 2.829 1.00 0.00 H new ATOM 0 HD1 TYR A 58 11.529 0.756 3.357 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.241 4.475 5.077 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.162 0.468 5.200 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.876 4.188 6.920 1.00 0.00 H new ATOM 0 HH TYR A 58 13.473 2.913 7.816 1.00 0.00 H new ATOM 887 N ARG A 59 7.127 3.959 3.903 1.00 0.00 N ATOM 888 CA ARG A 59 6.308 4.783 4.835 1.00 0.00 C ATOM 889 C ARG A 59 5.036 4.016 5.198 1.00 0.00 C ATOM 890 O ARG A 59 4.320 4.378 6.110 1.00 0.00 O ATOM 891 CB ARG A 59 5.929 6.099 4.153 1.00 0.00 C ATOM 892 CG ARG A 59 5.128 6.967 5.125 1.00 0.00 C ATOM 893 CD ARG A 59 3.822 7.397 4.459 1.00 0.00 C ATOM 894 NE ARG A 59 2.777 7.602 5.501 1.00 0.00 N ATOM 895 CZ ARG A 59 3.061 8.269 6.587 1.00 0.00 C ATOM 896 NH1 ARG A 59 3.163 9.569 6.546 1.00 0.00 N ATOM 897 NH2 ARG A 59 3.242 7.635 7.713 1.00 0.00 N ATOM 0 H ARG A 59 7.210 4.329 2.956 1.00 0.00 H new ATOM 0 HA ARG A 59 6.881 4.994 5.738 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.828 6.627 3.834 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.341 5.900 3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.918 6.411 6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.709 7.843 5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.975 8.318 3.896 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.497 6.638 3.747 1.00 0.00 H new ATOM 0 HE ARG A 59 1.840 7.222 5.366 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.021 10.064 5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.385 10.090 7.394 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.162 6.619 7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.464 8.156 8.562 1.00 0.00 H new ATOM 911 N PHE A 60 4.751 2.958 4.491 1.00 0.00 N ATOM 912 CA PHE A 60 3.527 2.166 4.792 1.00 0.00 C ATOM 913 C PHE A 60 3.927 0.829 5.418 1.00 0.00 C ATOM 914 O PHE A 60 3.254 -0.169 5.258 1.00 0.00 O ATOM 915 CB PHE A 60 2.752 1.912 3.497 1.00 0.00 C ATOM 916 CG PHE A 60 1.898 3.116 3.179 1.00 0.00 C ATOM 917 CD1 PHE A 60 2.501 4.358 2.943 1.00 0.00 C ATOM 918 CD2 PHE A 60 0.505 2.992 3.125 1.00 0.00 C ATOM 919 CE1 PHE A 60 1.708 5.476 2.651 1.00 0.00 C ATOM 920 CE2 PHE A 60 -0.287 4.110 2.833 1.00 0.00 C ATOM 921 CZ PHE A 60 0.316 5.352 2.596 1.00 0.00 C ATOM 0 H PHE A 60 5.314 2.607 3.716 1.00 0.00 H new ATOM 0 HA PHE A 60 2.898 2.720 5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.444 1.717 2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.126 1.026 3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.576 4.454 2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.041 2.034 3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.172 6.434 2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.362 4.014 2.791 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.294 6.214 2.371 1.00 0.00 H new ATOM 931 N ARG A 61 5.019 0.803 6.132 1.00 0.00 N ATOM 932 CA ARG A 61 5.462 -0.468 6.769 1.00 0.00 C ATOM 933 C ARG A 61 4.462 -0.863 7.858 1.00 0.00 C ATOM 934 O ARG A 61 4.256 -2.028 8.133 1.00 0.00 O ATOM 935 CB ARG A 61 6.846 -0.273 7.392 1.00 0.00 C ATOM 936 CG ARG A 61 7.885 -1.051 6.582 1.00 0.00 C ATOM 937 CD ARG A 61 7.996 -2.476 7.128 1.00 0.00 C ATOM 938 NE ARG A 61 9.146 -2.557 8.072 1.00 0.00 N ATOM 939 CZ ARG A 61 10.368 -2.544 7.615 1.00 0.00 C ATOM 940 NH1 ARG A 61 10.966 -1.408 7.384 1.00 0.00 N ATOM 941 NH2 ARG A 61 10.992 -3.667 7.388 1.00 0.00 N ATOM 0 H ARG A 61 5.623 1.607 6.301 1.00 0.00 H new ATOM 0 HA ARG A 61 5.513 -1.255 6.017 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.102 0.786 7.410 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.843 -0.618 8.426 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.599 -1.074 5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.853 -0.553 6.638 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.073 -2.755 7.637 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.134 -3.181 6.309 1.00 0.00 H new ATOM 0 HE ARG A 61 8.978 -2.623 9.076 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.478 -0.530 7.561 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.921 -1.398 7.027 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.525 -4.556 7.568 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.947 -3.656 7.031 1.00 0.00 H new ATOM 955 N ASP A 62 3.837 0.101 8.480 1.00 0.00 N ATOM 956 CA ASP A 62 2.848 -0.218 9.547 1.00 0.00 C ATOM 957 C ASP A 62 1.606 -0.855 8.920 1.00 0.00 C ATOM 958 O ASP A 62 0.708 -1.298 9.608 1.00 0.00 O ATOM 959 CB ASP A 62 2.449 1.069 10.274 1.00 0.00 C ATOM 960 CG ASP A 62 3.581 1.497 11.211 1.00 0.00 C ATOM 961 OD1 ASP A 62 4.482 2.176 10.747 1.00 0.00 O ATOM 962 OD2 ASP A 62 3.525 1.140 12.376 1.00 0.00 O ATOM 0 H ASP A 62 3.970 1.095 8.294 1.00 0.00 H new ATOM 0 HA ASP A 62 3.293 -0.914 10.257 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.242 1.858 9.551 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.533 0.909 10.842 1.00 0.00 H new ATOM 967 N ARG A 63 1.548 -0.908 7.616 1.00 0.00 N ATOM 968 CA ARG A 63 0.367 -1.519 6.944 1.00 0.00 C ATOM 969 C ARG A 63 0.843 -2.621 5.993 1.00 0.00 C ATOM 970 O ARG A 63 0.053 -3.296 5.364 1.00 0.00 O ATOM 971 CB ARG A 63 -0.378 -0.446 6.148 1.00 0.00 C ATOM 972 CG ARG A 63 -1.765 -0.229 6.756 1.00 0.00 C ATOM 973 CD ARG A 63 -2.555 0.752 5.888 1.00 0.00 C ATOM 974 NE ARG A 63 -3.354 1.657 6.762 1.00 0.00 N ATOM 975 CZ ARG A 63 -4.443 2.212 6.304 1.00 0.00 C ATOM 976 NH1 ARG A 63 -4.615 2.348 5.019 1.00 0.00 N ATOM 977 NH2 ARG A 63 -5.359 2.631 7.134 1.00 0.00 N ATOM 0 H ARG A 63 2.269 -0.554 6.987 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.302 -1.944 7.693 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.186 0.487 6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.470 -0.750 5.105 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.296 -1.178 6.826 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.672 0.159 7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.874 1.335 5.268 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.214 0.207 5.212 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.050 1.843 7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.898 2.021 4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.466 2.782 4.661 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.223 2.525 8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.210 3.065 6.777 1.00 0.00 H new ATOM 991 N LEU A 64 2.130 -2.806 5.886 1.00 0.00 N ATOM 992 CA LEU A 64 2.663 -3.860 4.979 1.00 0.00 C ATOM 993 C LEU A 64 2.462 -5.237 5.624 1.00 0.00 C ATOM 994 O LEU A 64 3.022 -5.510 6.667 1.00 0.00 O ATOM 995 CB LEU A 64 4.158 -3.624 4.763 1.00 0.00 C ATOM 996 CG LEU A 64 4.511 -3.821 3.288 1.00 0.00 C ATOM 997 CD1 LEU A 64 6.027 -3.738 3.118 1.00 0.00 C ATOM 998 CD2 LEU A 64 4.026 -5.194 2.817 1.00 0.00 C ATOM 0 H LEU A 64 2.837 -2.271 6.390 1.00 0.00 H new ATOM 0 HA LEU A 64 2.138 -3.822 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.424 -2.615 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.736 -4.313 5.379 1.00 0.00 H new ATOM 0 HG LEU A 64 4.028 -3.045 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.284 -3.878 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.377 -2.761 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.503 -4.516 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.280 -5.329 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.507 -5.973 3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.945 -5.260 2.940 1.00 0.00 H new ATOM 1010 N PRO A 65 1.682 -6.074 4.983 1.00 0.00 N ATOM 1011 CA PRO A 65 1.428 -7.414 5.488 1.00 0.00 C ATOM 1012 C PRO A 65 2.712 -8.245 5.422 1.00 0.00 C ATOM 1013 O PRO A 65 3.396 -8.426 6.409 1.00 0.00 O ATOM 1014 CB PRO A 65 0.352 -7.980 4.564 1.00 0.00 C ATOM 1015 CG PRO A 65 0.497 -7.132 3.260 1.00 0.00 C ATOM 1016 CD PRO A 65 1.008 -5.739 3.720 1.00 0.00 C ATOM 0 HA PRO A 65 1.105 -7.422 6.529 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.509 -9.041 4.371 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.642 -7.879 4.999 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.198 -7.597 2.566 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.457 -7.047 2.740 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.691 -5.294 2.997 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.192 -5.031 3.866 1.00 0.00 H new ATOM 1024 N GLU A 66 3.042 -8.749 4.268 1.00 0.00 N ATOM 1025 CA GLU A 66 4.278 -9.564 4.135 1.00 0.00 C ATOM 1026 C GLU A 66 4.400 -10.053 2.693 1.00 0.00 C ATOM 1027 O GLU A 66 5.482 -10.214 2.169 1.00 0.00 O ATOM 1028 CB GLU A 66 4.188 -10.763 5.074 1.00 0.00 C ATOM 1029 CG GLU A 66 5.594 -11.278 5.386 1.00 0.00 C ATOM 1030 CD GLU A 66 5.556 -12.132 6.656 1.00 0.00 C ATOM 1031 OE1 GLU A 66 4.599 -12.872 6.819 1.00 0.00 O ATOM 1032 OE2 GLU A 66 6.482 -12.030 7.443 1.00 0.00 O ATOM 0 H GLU A 66 2.507 -8.631 3.408 1.00 0.00 H new ATOM 0 HA GLU A 66 5.151 -8.964 4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.681 -10.478 5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.594 -11.553 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.971 -11.867 4.550 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.278 -10.440 5.519 1.00 0.00 H new ATOM 1039 N LYS A 67 3.294 -10.284 2.044 1.00 0.00 N ATOM 1040 CA LYS A 67 3.340 -10.762 0.631 1.00 0.00 C ATOM 1041 C LYS A 67 4.125 -9.777 -0.246 1.00 0.00 C ATOM 1042 O LYS A 67 4.428 -10.062 -1.387 1.00 0.00 O ATOM 1043 CB LYS A 67 1.913 -10.890 0.094 1.00 0.00 C ATOM 1044 CG LYS A 67 1.688 -12.312 -0.426 1.00 0.00 C ATOM 1045 CD LYS A 67 0.484 -12.326 -1.370 1.00 0.00 C ATOM 1046 CE LYS A 67 -0.786 -12.624 -0.572 1.00 0.00 C ATOM 1047 NZ LYS A 67 -1.980 -12.243 -1.378 1.00 0.00 N ATOM 0 H LYS A 67 2.358 -10.163 2.430 1.00 0.00 H new ATOM 0 HA LYS A 67 3.839 -11.731 0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.195 -10.662 0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.748 -10.169 -0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.577 -12.664 -0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.518 -12.993 0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.392 -11.364 -1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.625 -13.080 -2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.828 -13.683 -0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.776 -12.071 0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.844 -12.446 -0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.940 -11.228 -1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.991 -12.790 -2.263 1.00 0.00 H new ATOM 1061 N LEU A 68 4.458 -8.622 0.268 1.00 0.00 N ATOM 1062 CA LEU A 68 5.219 -7.636 -0.555 1.00 0.00 C ATOM 1063 C LEU A 68 6.279 -6.956 0.314 1.00 0.00 C ATOM 1064 O LEU A 68 6.905 -5.999 -0.092 1.00 0.00 O ATOM 1065 CB LEU A 68 4.268 -6.570 -1.113 1.00 0.00 C ATOM 1066 CG LEU A 68 2.838 -7.112 -1.159 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.164 -6.880 0.195 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.053 -6.384 -2.251 1.00 0.00 C ATOM 0 H LEU A 68 4.237 -8.320 1.217 1.00 0.00 H new ATOM 0 HA LEU A 68 5.698 -8.160 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.306 -5.676 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.586 -6.276 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 68 2.859 -8.180 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.145 -7.265 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.725 -7.397 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.142 -5.812 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.034 -6.769 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.030 -5.316 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.535 -6.547 -3.215 1.00 0.00 H new ATOM 1080 N ARG A 69 6.486 -7.439 1.507 1.00 0.00 N ATOM 1081 CA ARG A 69 7.508 -6.812 2.393 1.00 0.00 C ATOM 1082 C ARG A 69 8.839 -6.719 1.645 1.00 0.00 C ATOM 1083 O ARG A 69 9.365 -5.645 1.427 1.00 0.00 O ATOM 1084 CB ARG A 69 7.687 -7.665 3.651 1.00 0.00 C ATOM 1085 CG ARG A 69 8.322 -6.818 4.755 1.00 0.00 C ATOM 1086 CD ARG A 69 7.268 -6.483 5.813 1.00 0.00 C ATOM 1087 NE ARG A 69 7.912 -6.420 7.155 1.00 0.00 N ATOM 1088 CZ ARG A 69 8.036 -7.505 7.870 1.00 0.00 C ATOM 1089 NH1 ARG A 69 6.985 -8.053 8.413 1.00 0.00 N ATOM 1090 NH2 ARG A 69 9.214 -8.041 8.041 1.00 0.00 N ATOM 0 H ARG A 69 5.994 -8.238 1.907 1.00 0.00 H new ATOM 0 HA ARG A 69 7.179 -5.813 2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.723 -8.050 3.982 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.316 -8.528 3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.151 -7.359 5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.733 -5.901 4.333 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.794 -5.529 5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.482 -7.238 5.810 1.00 0.00 H new ATOM 0 HE ARG A 69 8.256 -5.530 7.515 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.065 -7.634 8.279 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.083 -8.901 8.972 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.036 -7.612 7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.312 -8.889 8.599 1.00 0.00 H new ATOM 1104 N TYR A 70 9.387 -7.835 1.246 1.00 0.00 N ATOM 1105 CA TYR A 70 10.682 -7.807 0.509 1.00 0.00 C ATOM 1106 C TYR A 70 10.640 -6.698 -0.543 1.00 0.00 C ATOM 1107 O TYR A 70 11.616 -6.012 -0.778 1.00 0.00 O ATOM 1108 CB TYR A 70 10.906 -9.154 -0.179 1.00 0.00 C ATOM 1109 CG TYR A 70 9.640 -9.571 -0.889 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.397 -9.141 -2.198 1.00 0.00 C ATOM 1111 CD2 TYR A 70 8.707 -10.387 -0.236 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.222 -9.524 -2.855 1.00 0.00 C ATOM 1113 CE2 TYR A 70 7.533 -10.770 -0.893 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.290 -10.340 -2.202 1.00 0.00 C ATOM 1115 OH TYR A 70 6.132 -10.719 -2.850 1.00 0.00 O ATOM 0 H TYR A 70 8.994 -8.764 1.399 1.00 0.00 H new ATOM 0 HA TYR A 70 11.497 -7.617 1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.728 -9.079 -0.891 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.189 -9.908 0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.117 -8.513 -2.702 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.894 -10.720 0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.034 -9.190 -3.865 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.813 -11.398 -0.389 1.00 0.00 H new ATOM 0 HH TYR A 70 5.429 -10.891 -2.189 1.00 0.00 H new ATOM 1125 N LEU A 71 9.515 -6.514 -1.177 1.00 0.00 N ATOM 1126 CA LEU A 71 9.403 -5.447 -2.210 1.00 0.00 C ATOM 1127 C LEU A 71 9.634 -4.086 -1.555 1.00 0.00 C ATOM 1128 O LEU A 71 10.416 -3.284 -2.028 1.00 0.00 O ATOM 1129 CB LEU A 71 8.008 -5.493 -2.835 1.00 0.00 C ATOM 1130 CG LEU A 71 8.046 -6.332 -4.109 1.00 0.00 C ATOM 1131 CD1 LEU A 71 6.753 -7.139 -4.232 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.180 -5.400 -5.311 1.00 0.00 C ATOM 0 H LEU A 71 8.666 -7.058 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 71 10.150 -5.604 -2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.296 -5.919 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.667 -4.483 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 71 8.893 -7.017 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.783 -7.737 -5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.651 -7.797 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.902 -6.459 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.208 -5.990 -6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.327 -4.722 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.100 -4.823 -5.223 1.00 0.00 H new ATOM 1144 N ALA A 72 8.974 -3.823 -0.461 1.00 0.00 N ATOM 1145 CA ALA A 72 9.175 -2.518 0.228 1.00 0.00 C ATOM 1146 C ALA A 72 10.606 -2.451 0.765 1.00 0.00 C ATOM 1147 O ALA A 72 11.061 -1.421 1.220 1.00 0.00 O ATOM 1148 CB ALA A 72 8.187 -2.394 1.390 1.00 0.00 C ATOM 0 H ALA A 72 8.307 -4.453 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 72 9.007 -1.702 -0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.335 -1.439 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.168 -2.449 1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.354 -3.206 2.097 1.00 0.00 H new ATOM 1154 N ASP A 73 11.321 -3.543 0.712 1.00 0.00 N ATOM 1155 CA ASP A 73 12.722 -3.543 1.216 1.00 0.00 C ATOM 1156 C ASP A 73 13.640 -2.945 0.150 1.00 0.00 C ATOM 1157 O ASP A 73 14.596 -2.259 0.453 1.00 0.00 O ATOM 1158 CB ASP A 73 13.157 -4.979 1.518 1.00 0.00 C ATOM 1159 CG ASP A 73 13.300 -5.163 3.030 1.00 0.00 C ATOM 1160 OD1 ASP A 73 14.049 -4.410 3.630 1.00 0.00 O ATOM 1161 OD2 ASP A 73 12.659 -6.054 3.561 1.00 0.00 O ATOM 0 H ASP A 73 10.994 -4.435 0.341 1.00 0.00 H new ATOM 0 HA ASP A 73 12.783 -2.948 2.127 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.424 -5.683 1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.104 -5.195 1.024 1.00 0.00 H new ATOM 1166 N ALA A 74 13.353 -3.194 -1.099 1.00 0.00 N ATOM 1167 CA ALA A 74 14.205 -2.635 -2.184 1.00 0.00 C ATOM 1168 C ALA A 74 14.446 -1.148 -1.913 1.00 0.00 C ATOM 1169 O ALA A 74 13.823 -0.572 -1.044 1.00 0.00 O ATOM 1170 CB ALA A 74 13.489 -2.800 -3.526 1.00 0.00 C ATOM 0 H ALA A 74 12.565 -3.760 -1.414 1.00 0.00 H new ATOM 0 HA ALA A 74 15.159 -3.162 -2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.111 -2.391 -4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.307 -3.858 -3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.538 -2.268 -3.499 1.00 0.00 H new ATOM 1176 N PRO A 75 15.340 -0.564 -2.670 1.00 0.00 N ATOM 1177 CA PRO A 75 15.660 0.846 -2.522 1.00 0.00 C ATOM 1178 C PRO A 75 14.467 1.694 -2.966 1.00 0.00 C ATOM 1179 O PRO A 75 13.575 1.219 -3.640 1.00 0.00 O ATOM 1180 CB PRO A 75 16.866 1.068 -3.430 1.00 0.00 C ATOM 1181 CG PRO A 75 16.761 -0.089 -4.472 1.00 0.00 C ATOM 1182 CD PRO A 75 16.084 -1.271 -3.722 1.00 0.00 C ATOM 0 HA PRO A 75 15.879 1.128 -1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.830 2.045 -3.912 1.00 0.00 H new ATOM 0 HB3 PRO A 75 17.801 1.021 -2.872 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.171 0.215 -5.337 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.746 -0.373 -4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.426 -1.847 -4.373 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.814 -1.968 -3.310 1.00 0.00 H new ATOM 1190 N GLN A 76 14.432 2.939 -2.583 1.00 0.00 N ATOM 1191 CA GLN A 76 13.283 3.800 -2.976 1.00 0.00 C ATOM 1192 C GLN A 76 13.787 5.170 -3.436 1.00 0.00 C ATOM 1193 O GLN A 76 13.134 6.168 -3.234 1.00 0.00 O ATOM 1194 CB GLN A 76 12.354 3.982 -1.774 1.00 0.00 C ATOM 1195 CG GLN A 76 13.188 4.283 -0.527 1.00 0.00 C ATOM 1196 CD GLN A 76 12.718 5.598 0.097 1.00 0.00 C ATOM 1197 OE1 GLN A 76 11.787 6.213 -0.382 1.00 0.00 O ATOM 1198 NE2 GLN A 76 13.328 6.058 1.156 1.00 0.00 N ATOM 0 H GLN A 76 15.147 3.396 -2.017 1.00 0.00 H new ATOM 0 HA GLN A 76 12.743 3.324 -3.795 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.654 4.796 -1.962 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.761 3.081 -1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 76 13.090 3.471 0.194 1.00 0.00 H new ATOM 0 HG3 GLN A 76 14.244 4.350 -0.790 1.00 0.00 H new ATOM 0 HE21 GLN A 76 14.110 5.542 1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.022 6.934 1.581 1.00 0.00 H new ATOM 1207 N GLN A 77 14.930 5.231 -4.068 1.00 0.00 N ATOM 1208 CA GLN A 77 15.446 6.550 -4.532 1.00 0.00 C ATOM 1209 C GLN A 77 16.712 6.346 -5.370 1.00 0.00 C ATOM 1210 O GLN A 77 16.972 7.082 -6.300 1.00 0.00 O ATOM 1211 CB GLN A 77 15.779 7.425 -3.322 1.00 0.00 C ATOM 1212 CG GLN A 77 14.784 8.584 -3.238 1.00 0.00 C ATOM 1213 CD GLN A 77 13.842 8.364 -2.053 1.00 0.00 C ATOM 1214 OE1 GLN A 77 13.953 7.381 -1.348 1.00 0.00 O ATOM 1215 NE2 GLN A 77 12.912 9.244 -1.803 1.00 0.00 N ATOM 0 H GLN A 77 15.524 4.430 -4.281 1.00 0.00 H new ATOM 0 HA GLN A 77 14.683 7.038 -5.139 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.739 6.831 -2.409 1.00 0.00 H new ATOM 0 HB3 GLN A 77 16.795 7.810 -3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 77 15.318 9.527 -3.122 1.00 0.00 H new ATOM 0 HG3 GLN A 77 14.212 8.653 -4.163 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.819 10.069 -2.395 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.278 9.107 -1.016 1.00 0.00 H new ATOM 1224 N ASP A 78 17.499 5.355 -5.040 1.00 0.00 N ATOM 1225 CA ASP A 78 18.753 5.092 -5.806 1.00 0.00 C ATOM 1226 C ASP A 78 19.876 6.014 -5.286 1.00 0.00 C ATOM 1227 O ASP A 78 19.612 6.987 -4.610 1.00 0.00 O ATOM 1228 CB ASP A 78 18.481 5.286 -7.316 1.00 0.00 C ATOM 1229 CG ASP A 78 19.215 6.509 -7.875 1.00 0.00 C ATOM 1230 OD1 ASP A 78 18.672 7.596 -7.787 1.00 0.00 O ATOM 1231 OD2 ASP A 78 20.309 6.334 -8.387 1.00 0.00 O ATOM 0 H ASP A 78 17.325 4.712 -4.267 1.00 0.00 H new ATOM 0 HA ASP A 78 19.083 4.063 -5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 78 18.795 4.395 -7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.409 5.399 -7.481 1.00 0.00 H new ATOM 1236 N PRO A 79 21.099 5.651 -5.600 1.00 0.00 N ATOM 1237 CA PRO A 79 22.279 6.393 -5.159 1.00 0.00 C ATOM 1238 C PRO A 79 22.114 7.907 -5.349 1.00 0.00 C ATOM 1239 O PRO A 79 22.699 8.693 -4.630 1.00 0.00 O ATOM 1240 CB PRO A 79 23.406 5.859 -6.035 1.00 0.00 C ATOM 1241 CG PRO A 79 22.935 4.414 -6.396 1.00 0.00 C ATOM 1242 CD PRO A 79 21.380 4.467 -6.429 1.00 0.00 C ATOM 0 HA PRO A 79 22.466 6.256 -4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 79 23.545 6.470 -6.927 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.357 5.850 -5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 79 23.336 4.102 -7.361 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.286 3.693 -5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 79 20.997 4.578 -7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 79 20.932 3.563 -6.016 1.00 0.00 H new ATOM 1250 N GLU A 80 21.338 8.326 -6.306 1.00 0.00 N ATOM 1251 CA GLU A 80 21.159 9.790 -6.528 1.00 0.00 C ATOM 1252 C GLU A 80 19.994 10.299 -5.676 1.00 0.00 C ATOM 1253 O GLU A 80 20.033 11.392 -5.148 1.00 0.00 O ATOM 1254 CB GLU A 80 20.858 10.046 -8.007 1.00 0.00 C ATOM 1255 CG GLU A 80 21.083 11.526 -8.324 1.00 0.00 C ATOM 1256 CD GLU A 80 19.776 12.296 -8.128 1.00 0.00 C ATOM 1257 OE1 GLU A 80 19.515 12.705 -7.009 1.00 0.00 O ATOM 1258 OE2 GLU A 80 19.058 12.461 -9.101 1.00 0.00 O ATOM 0 H GLU A 80 20.820 7.722 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 80 22.071 10.315 -6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.501 9.427 -8.633 1.00 0.00 H new ATOM 0 HB3 GLU A 80 19.829 9.767 -8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.858 11.934 -7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.434 11.640 -9.350 1.00 0.00 H new ATOM 1265 N GLY A 81 18.962 9.516 -5.531 1.00 0.00 N ATOM 1266 CA GLY A 81 17.802 9.958 -4.707 1.00 0.00 C ATOM 1267 C GLY A 81 16.522 9.904 -5.543 1.00 0.00 C ATOM 1268 O GLY A 81 15.453 10.248 -5.078 1.00 0.00 O ATOM 0 H GLY A 81 18.871 8.589 -5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.702 9.318 -3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.968 10.972 -4.344 1.00 0.00 H new ATOM 1272 N ASN A 82 16.616 9.471 -6.770 1.00 0.00 N ATOM 1273 CA ASN A 82 15.394 9.393 -7.622 1.00 0.00 C ATOM 1274 C ASN A 82 14.489 8.289 -7.079 1.00 0.00 C ATOM 1275 O ASN A 82 14.779 7.117 -7.221 1.00 0.00 O ATOM 1276 CB ASN A 82 15.776 9.063 -9.069 1.00 0.00 C ATOM 1277 CG ASN A 82 17.180 9.586 -9.376 1.00 0.00 C ATOM 1278 OD1 ASN A 82 17.494 10.725 -9.089 1.00 0.00 O ATOM 1279 ND2 ASN A 82 18.044 8.796 -9.952 1.00 0.00 N ATOM 0 H ASN A 82 17.481 9.169 -7.219 1.00 0.00 H new ATOM 0 HA ASN A 82 14.878 10.353 -7.603 1.00 0.00 H new ATOM 0 HB2 ASN A 82 15.739 7.985 -9.226 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.056 9.510 -9.754 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.983 9.134 -10.162 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.780 7.841 -10.193 1.00 0.00 H new ATOM 1286 N LYS A 83 13.400 8.649 -6.448 1.00 0.00 N ATOM 1287 CA LYS A 83 12.484 7.616 -5.885 1.00 0.00 C ATOM 1288 C LYS A 83 12.362 6.449 -6.855 1.00 0.00 C ATOM 1289 O LYS A 83 12.143 6.630 -8.034 1.00 0.00 O ATOM 1290 CB LYS A 83 11.111 8.218 -5.651 1.00 0.00 C ATOM 1291 CG LYS A 83 11.231 9.314 -4.599 1.00 0.00 C ATOM 1292 CD LYS A 83 11.386 10.668 -5.291 1.00 0.00 C ATOM 1293 CE LYS A 83 10.244 11.593 -4.870 1.00 0.00 C ATOM 1294 NZ LYS A 83 10.111 12.700 -5.860 1.00 0.00 N ATOM 0 H LYS A 83 13.107 9.615 -6.299 1.00 0.00 H new ATOM 0 HA LYS A 83 12.892 7.261 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.715 8.628 -6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.413 7.450 -5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.348 9.319 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.089 9.122 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.345 11.115 -5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.381 10.537 -6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.311 11.032 -4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.438 12.000 -3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.334 13.330 -5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.999 13.240 -5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.907 12.303 -6.799 1.00 0.00 H new ATOM 1308 N THR A 84 12.489 5.252 -6.370 1.00 0.00 N ATOM 1309 CA THR A 84 12.368 4.079 -7.282 1.00 0.00 C ATOM 1310 C THR A 84 11.123 3.287 -6.913 1.00 0.00 C ATOM 1311 O THR A 84 10.754 3.181 -5.760 1.00 0.00 O ATOM 1312 CB THR A 84 13.605 3.181 -7.180 1.00 0.00 C ATOM 1313 OG1 THR A 84 13.453 2.073 -8.057 1.00 0.00 O ATOM 1314 CG2 THR A 84 13.768 2.676 -5.750 1.00 0.00 C ATOM 0 H THR A 84 12.670 5.031 -5.391 1.00 0.00 H new ATOM 0 HA THR A 84 12.290 4.436 -8.309 1.00 0.00 H new ATOM 0 HB THR A 84 14.489 3.755 -7.458 1.00 0.00 H new ATOM 0 HG1 THR A 84 14.309 1.881 -8.493 1.00 0.00 H new ATOM 0 HG21 THR A 84 14.650 2.039 -5.688 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.885 3.524 -5.076 1.00 0.00 H new ATOM 0 HG23 THR A 84 12.886 2.104 -5.463 1.00 0.00 H new ATOM 1322 N MET A 85 10.467 2.738 -7.889 1.00 0.00 N ATOM 1323 CA MET A 85 9.231 1.959 -7.606 1.00 0.00 C ATOM 1324 C MET A 85 9.457 0.494 -7.961 1.00 0.00 C ATOM 1325 O MET A 85 10.234 0.170 -8.838 1.00 0.00 O ATOM 1326 CB MET A 85 8.073 2.522 -8.426 1.00 0.00 C ATOM 1327 CG MET A 85 8.529 2.709 -9.866 1.00 0.00 C ATOM 1328 SD MET A 85 7.260 3.598 -10.791 1.00 0.00 S ATOM 1329 CE MET A 85 6.589 2.145 -11.624 1.00 0.00 C ATOM 0 H MET A 85 10.731 2.793 -8.873 1.00 0.00 H new ATOM 0 HA MET A 85 8.988 2.035 -6.546 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.220 1.845 -8.386 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.744 3.474 -8.009 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.468 3.263 -9.892 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.718 1.740 -10.327 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.505 2.234 -11.694 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.013 2.072 -12.626 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.843 1.250 -11.056 1.00 0.00 H new ATOM 1339 N VAL A 86 8.798 -0.397 -7.274 1.00 0.00 N ATOM 1340 CA VAL A 86 8.992 -1.847 -7.560 1.00 0.00 C ATOM 1341 C VAL A 86 8.330 -2.235 -8.876 1.00 0.00 C ATOM 1342 O VAL A 86 7.129 -2.394 -8.963 1.00 0.00 O ATOM 1343 CB VAL A 86 8.399 -2.701 -6.442 1.00 0.00 C ATOM 1344 CG1 VAL A 86 9.449 -2.896 -5.352 1.00 0.00 C ATOM 1345 CG2 VAL A 86 7.165 -2.018 -5.850 1.00 0.00 C ATOM 0 H VAL A 86 8.135 -0.185 -6.528 1.00 0.00 H new ATOM 0 HA VAL A 86 10.065 -2.026 -7.628 1.00 0.00 H new ATOM 0 HB VAL A 86 8.102 -3.668 -6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.032 -3.505 -4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.321 -3.397 -5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.745 -1.925 -4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.753 -2.638 -5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.447 -1.046 -5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.415 -1.882 -6.629 1.00 0.00 H new ATOM 1355 N ARG A 87 9.118 -2.424 -9.889 1.00 0.00 N ATOM 1356 CA ARG A 87 8.564 -2.841 -11.205 1.00 0.00 C ATOM 1357 C ARG A 87 8.505 -4.369 -11.240 1.00 0.00 C ATOM 1358 O ARG A 87 8.856 -5.031 -10.285 1.00 0.00 O ATOM 1359 CB ARG A 87 9.471 -2.365 -12.350 1.00 0.00 C ATOM 1360 CG ARG A 87 10.091 -1.008 -12.014 1.00 0.00 C ATOM 1361 CD ARG A 87 8.998 0.053 -12.024 1.00 0.00 C ATOM 1362 NE ARG A 87 9.581 1.378 -12.372 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.581 1.786 -13.612 1.00 0.00 C ATOM 1364 NH1 ARG A 87 9.986 0.988 -14.562 1.00 0.00 N ATOM 1365 NH2 ARG A 87 9.176 2.992 -13.902 1.00 0.00 N ATOM 0 H ARG A 87 10.131 -2.307 -9.865 1.00 0.00 H new ATOM 0 HA ARG A 87 7.574 -2.403 -11.330 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.259 -3.098 -12.526 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.894 -2.289 -13.272 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.571 -1.045 -11.036 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.865 -0.758 -12.739 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.226 -0.215 -12.745 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.518 0.102 -11.047 1.00 0.00 H new ATOM 0 HE ARG A 87 9.980 1.967 -11.641 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.303 0.045 -14.336 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.986 1.307 -15.531 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.859 3.616 -13.160 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.176 3.311 -14.871 1.00 0.00 H new ATOM 1379 N PHE A 88 8.078 -4.940 -12.333 1.00 0.00 N ATOM 1380 CA PHE A 88 8.018 -6.426 -12.410 1.00 0.00 C ATOM 1381 C PHE A 88 8.645 -6.901 -13.720 1.00 0.00 C ATOM 1382 O PHE A 88 8.294 -6.445 -14.790 1.00 0.00 O ATOM 1383 CB PHE A 88 6.564 -6.894 -12.351 1.00 0.00 C ATOM 1384 CG PHE A 88 6.531 -8.403 -12.411 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.845 -9.062 -13.606 1.00 0.00 C ATOM 1386 CD2 PHE A 88 6.193 -9.142 -11.272 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.820 -10.460 -13.662 1.00 0.00 C ATOM 1388 CE2 PHE A 88 6.171 -10.541 -11.327 1.00 0.00 C ATOM 1389 CZ PHE A 88 6.484 -11.199 -12.523 1.00 0.00 C ATOM 0 H PHE A 88 7.770 -4.445 -13.170 1.00 0.00 H new ATOM 0 HA PHE A 88 8.568 -6.844 -11.567 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.092 -6.543 -11.433 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.998 -6.472 -13.182 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.107 -8.491 -14.485 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.949 -8.634 -10.351 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.060 -10.968 -14.584 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.913 -11.112 -10.448 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.466 -12.278 -12.566 1.00 0.00 H new ATOM 1399 N SER A 89 9.566 -7.822 -13.644 1.00 0.00 N ATOM 1400 CA SER A 89 10.211 -8.335 -14.883 1.00 0.00 C ATOM 1401 C SER A 89 9.636 -9.714 -15.209 1.00 0.00 C ATOM 1402 O SER A 89 9.523 -10.567 -14.351 1.00 0.00 O ATOM 1403 CB SER A 89 11.720 -8.448 -14.664 1.00 0.00 C ATOM 1404 OG SER A 89 12.322 -7.180 -14.885 1.00 0.00 O ATOM 0 H SER A 89 9.899 -8.241 -12.776 1.00 0.00 H new ATOM 0 HA SER A 89 10.019 -7.651 -15.710 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.927 -8.790 -13.650 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.143 -9.188 -15.343 1.00 0.00 H new ATOM 0 HG SER A 89 11.660 -6.473 -14.734 1.00 0.00 H new ATOM 1410 N ARG A 90 9.270 -9.941 -16.440 1.00 0.00 N ATOM 1411 CA ARG A 90 8.701 -11.266 -16.811 1.00 0.00 C ATOM 1412 C ARG A 90 9.832 -12.204 -17.234 1.00 0.00 C ATOM 1413 O ARG A 90 9.637 -13.391 -17.402 1.00 0.00 O ATOM 1414 CB ARG A 90 7.718 -11.096 -17.973 1.00 0.00 C ATOM 1415 CG ARG A 90 7.029 -9.733 -17.867 1.00 0.00 C ATOM 1416 CD ARG A 90 5.929 -9.633 -18.926 1.00 0.00 C ATOM 1417 NE ARG A 90 4.600 -9.576 -18.257 1.00 0.00 N ATOM 1418 CZ ARG A 90 3.509 -9.699 -18.962 1.00 0.00 C ATOM 1419 NH1 ARG A 90 3.004 -8.660 -19.571 1.00 0.00 N ATOM 1420 NH2 ARG A 90 2.922 -10.860 -19.059 1.00 0.00 N ATOM 0 H ARG A 90 9.340 -9.268 -17.203 1.00 0.00 H new ATOM 0 HA ARG A 90 8.177 -11.689 -15.953 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.246 -11.175 -18.924 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.975 -11.893 -17.954 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.603 -9.605 -16.872 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.757 -8.934 -18.007 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.078 -8.744 -19.538 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.975 -10.492 -19.595 1.00 0.00 H new ATOM 0 HE ARG A 90 4.542 -9.441 -17.248 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.462 -7.752 -19.496 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.151 -8.757 -20.122 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.316 -11.672 -18.584 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.069 -10.956 -19.610 1.00 0.00 H new ATOM 1434 N LYS A 91 11.017 -11.682 -17.400 1.00 0.00 N ATOM 1435 CA LYS A 91 12.159 -12.547 -17.804 1.00 0.00 C ATOM 1436 C LYS A 91 12.482 -13.517 -16.667 1.00 0.00 C ATOM 1437 O LYS A 91 13.119 -14.533 -16.866 1.00 0.00 O ATOM 1438 CB LYS A 91 13.382 -11.675 -18.096 1.00 0.00 C ATOM 1439 CG LYS A 91 13.201 -10.974 -19.444 1.00 0.00 C ATOM 1440 CD LYS A 91 12.517 -9.622 -19.228 1.00 0.00 C ATOM 1441 CE LYS A 91 13.333 -8.788 -18.238 1.00 0.00 C ATOM 1442 NZ LYS A 91 14.787 -9.001 -18.490 1.00 0.00 N ATOM 0 H LYS A 91 11.242 -10.695 -17.273 1.00 0.00 H new ATOM 0 HA LYS A 91 11.895 -13.109 -18.700 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.512 -10.936 -17.305 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.283 -12.288 -18.111 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.169 -10.831 -19.925 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.602 -11.594 -20.111 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.426 -9.093 -20.177 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.506 -9.771 -18.848 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.085 -7.732 -18.345 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.085 -9.072 -17.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.330 -8.215 -18.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.088 -9.896 -18.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.960 -9.041 -19.515 1.00 0.00 H new ATOM 1456 N THR A 92 12.048 -13.211 -15.475 1.00 0.00 N ATOM 1457 CA THR A 92 12.329 -14.116 -14.325 1.00 0.00 C ATOM 1458 C THR A 92 11.197 -14.005 -13.302 1.00 0.00 C ATOM 1459 O THR A 92 11.336 -14.406 -12.163 1.00 0.00 O ATOM 1460 CB THR A 92 13.652 -13.710 -13.668 1.00 0.00 C ATOM 1461 OG1 THR A 92 13.703 -12.295 -13.547 1.00 0.00 O ATOM 1462 CG2 THR A 92 14.820 -14.194 -14.527 1.00 0.00 C ATOM 0 H THR A 92 11.511 -12.374 -15.248 1.00 0.00 H new ATOM 0 HA THR A 92 12.400 -15.144 -14.680 1.00 0.00 H new ATOM 0 HB THR A 92 13.721 -14.162 -12.679 1.00 0.00 H new ATOM 0 HG1 THR A 92 14.258 -12.052 -12.777 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.761 -13.905 -14.059 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.779 -15.279 -14.618 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.754 -13.744 -15.517 1.00 0.00 H new ATOM 1470 N LYS A 93 10.078 -13.465 -13.698 1.00 0.00 N ATOM 1471 CA LYS A 93 8.941 -13.329 -12.746 1.00 0.00 C ATOM 1472 C LYS A 93 9.458 -12.792 -11.410 1.00 0.00 C ATOM 1473 O LYS A 93 9.243 -13.380 -10.369 1.00 0.00 O ATOM 1474 CB LYS A 93 8.290 -14.696 -12.529 1.00 0.00 C ATOM 1475 CG LYS A 93 8.054 -15.370 -13.884 1.00 0.00 C ATOM 1476 CD LYS A 93 6.596 -15.823 -13.981 1.00 0.00 C ATOM 1477 CE LYS A 93 6.332 -16.393 -15.376 1.00 0.00 C ATOM 1478 NZ LYS A 93 5.746 -17.758 -15.251 1.00 0.00 N ATOM 0 H LYS A 93 9.902 -13.112 -14.639 1.00 0.00 H new ATOM 0 HA LYS A 93 8.204 -12.638 -13.156 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.930 -15.321 -11.907 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.345 -14.580 -11.999 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.285 -14.676 -14.692 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.720 -16.225 -13.998 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.387 -16.577 -13.222 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.929 -14.983 -13.787 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.651 -15.742 -15.924 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.260 -16.435 -15.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.566 -18.147 -16.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.411 -18.376 -14.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.852 -17.705 -14.723 1.00 0.00 H new ATOM 1492 N GLN A 94 10.141 -11.680 -11.431 1.00 0.00 N ATOM 1493 CA GLN A 94 10.672 -11.108 -10.161 1.00 0.00 C ATOM 1494 C GLN A 94 10.292 -9.630 -10.065 1.00 0.00 C ATOM 1495 O GLN A 94 9.525 -9.124 -10.861 1.00 0.00 O ATOM 1496 CB GLN A 94 12.196 -11.244 -10.140 1.00 0.00 C ATOM 1497 CG GLN A 94 12.574 -12.712 -9.932 1.00 0.00 C ATOM 1498 CD GLN A 94 13.960 -12.971 -10.527 1.00 0.00 C ATOM 1499 OE1 GLN A 94 14.553 -12.093 -11.121 1.00 0.00 O ATOM 1500 NE2 GLN A 94 14.505 -14.149 -10.390 1.00 0.00 N ATOM 0 H GLN A 94 10.354 -11.143 -12.272 1.00 0.00 H new ATOM 0 HA GLN A 94 10.245 -11.647 -9.315 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.617 -10.878 -11.076 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.615 -10.633 -9.341 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.572 -12.952 -8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.836 -13.359 -10.406 1.00 0.00 H new ATOM 0 HE21 GLN A 94 14.007 -14.886 -9.891 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.429 -14.332 -10.782 1.00 0.00 H new ATOM 1509 N GLN A 95 10.819 -8.933 -9.096 1.00 0.00 N ATOM 1510 CA GLN A 95 10.482 -7.488 -8.952 1.00 0.00 C ATOM 1511 C GLN A 95 11.733 -6.635 -9.179 1.00 0.00 C ATOM 1512 O GLN A 95 12.667 -6.670 -8.405 1.00 0.00 O ATOM 1513 CB GLN A 95 9.944 -7.218 -7.541 1.00 0.00 C ATOM 1514 CG GLN A 95 8.697 -8.069 -7.273 1.00 0.00 C ATOM 1515 CD GLN A 95 7.802 -8.093 -8.515 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.681 -9.109 -9.172 1.00 0.00 O ATOM 1517 NE2 GLN A 95 7.166 -7.010 -8.867 1.00 0.00 N ATOM 0 H GLN A 95 11.467 -9.300 -8.399 1.00 0.00 H new ATOM 0 HA GLN A 95 9.724 -7.229 -9.691 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.713 -7.445 -6.802 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.701 -6.161 -7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.990 -9.084 -7.006 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.145 -7.663 -6.425 1.00 0.00 H new ATOM 0 HE21 GLN A 95 7.267 -6.157 -8.316 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.568 -7.016 -9.693 1.00 0.00 H new ATOM 1526 N TYR A 96 11.747 -5.851 -10.222 1.00 0.00 N ATOM 1527 CA TYR A 96 12.923 -4.973 -10.484 1.00 0.00 C ATOM 1528 C TYR A 96 12.476 -3.527 -10.276 1.00 0.00 C ATOM 1529 O TYR A 96 11.493 -3.104 -10.833 1.00 0.00 O ATOM 1530 CB TYR A 96 13.425 -5.183 -11.921 1.00 0.00 C ATOM 1531 CG TYR A 96 12.549 -4.435 -12.901 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.805 -3.086 -13.178 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.490 -5.091 -13.538 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.000 -2.394 -14.092 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.685 -4.399 -14.451 1.00 0.00 C ATOM 1536 CZ TYR A 96 10.941 -3.051 -14.728 1.00 0.00 C ATOM 1537 OH TYR A 96 10.147 -2.369 -15.628 1.00 0.00 O ATOM 0 H TYR A 96 10.993 -5.780 -10.906 1.00 0.00 H new ATOM 0 HA TYR A 96 13.743 -5.213 -9.807 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.455 -4.837 -12.007 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.425 -6.246 -12.161 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.623 -2.580 -12.687 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.293 -6.131 -13.325 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.197 -1.354 -14.306 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.867 -4.905 -14.941 1.00 0.00 H new ATOM 0 HH TYR A 96 9.459 -2.972 -15.979 1.00 0.00 H new ATOM 1547 N VAL A 97 13.172 -2.776 -9.468 1.00 0.00 N ATOM 1548 CA VAL A 97 12.739 -1.365 -9.199 1.00 0.00 C ATOM 1549 C VAL A 97 13.289 -0.432 -10.267 1.00 0.00 C ATOM 1550 O VAL A 97 14.042 -0.827 -11.131 1.00 0.00 O ATOM 1551 CB VAL A 97 13.264 -0.906 -7.825 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.158 -0.168 -7.077 1.00 0.00 C ATOM 1553 CG2 VAL A 97 13.708 -2.110 -6.988 1.00 0.00 C ATOM 0 H VAL A 97 14.019 -3.071 -8.982 1.00 0.00 H new ATOM 0 HA VAL A 97 11.650 -1.333 -9.210 1.00 0.00 H new ATOM 0 HB VAL A 97 14.117 -0.246 -7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.530 0.156 -6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.846 0.702 -7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.307 -0.834 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.076 -1.765 -6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.862 -2.780 -6.837 1.00 0.00 H new ATOM 0 HG23 VAL A 97 14.503 -2.642 -7.510 1.00 0.00 H new ATOM 1563 N SER A 98 12.883 0.807 -10.224 1.00 0.00 N ATOM 1564 CA SER A 98 13.342 1.782 -11.244 1.00 0.00 C ATOM 1565 C SER A 98 13.369 3.190 -10.634 1.00 0.00 C ATOM 1566 O SER A 98 12.347 3.732 -10.264 1.00 0.00 O ATOM 1567 CB SER A 98 12.364 1.739 -12.420 1.00 0.00 C ATOM 1568 OG SER A 98 11.617 2.947 -12.470 1.00 0.00 O ATOM 0 H SER A 98 12.249 1.185 -9.520 1.00 0.00 H new ATOM 0 HA SER A 98 14.346 1.531 -11.585 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.909 1.599 -13.353 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.691 0.889 -12.314 1.00 0.00 H new ATOM 0 HG SER A 98 11.373 3.218 -11.561 1.00 0.00 H new ATOM 1574 N SER A 99 14.527 3.786 -10.532 1.00 0.00 N ATOM 1575 CA SER A 99 14.614 5.158 -9.953 1.00 0.00 C ATOM 1576 C SER A 99 14.222 6.173 -11.032 1.00 0.00 C ATOM 1577 O SER A 99 14.651 6.080 -12.165 1.00 0.00 O ATOM 1578 CB SER A 99 16.049 5.430 -9.503 1.00 0.00 C ATOM 1579 OG SER A 99 16.615 4.233 -8.987 1.00 0.00 O ATOM 0 H SER A 99 15.417 3.382 -10.825 1.00 0.00 H new ATOM 0 HA SER A 99 13.944 5.243 -9.097 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.642 5.794 -10.342 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.062 6.210 -8.741 1.00 0.00 H new ATOM 0 HG SER A 99 17.494 4.085 -9.394 1.00 0.00 H new ATOM 1585 N GLU A 100 13.414 7.138 -10.697 1.00 0.00 N ATOM 1586 CA GLU A 100 13.002 8.147 -11.714 1.00 0.00 C ATOM 1587 C GLU A 100 13.202 9.555 -11.150 1.00 0.00 C ATOM 1588 O GLU A 100 12.891 9.826 -10.007 1.00 0.00 O ATOM 1589 CB GLU A 100 11.526 7.944 -12.066 1.00 0.00 C ATOM 1590 CG GLU A 100 11.406 6.897 -13.175 1.00 0.00 C ATOM 1591 CD GLU A 100 10.230 5.966 -12.874 1.00 0.00 C ATOM 1592 OE1 GLU A 100 9.923 5.792 -11.707 1.00 0.00 O ATOM 1593 OE2 GLU A 100 9.658 5.444 -13.816 1.00 0.00 O ATOM 0 H GLU A 100 13.021 7.273 -9.765 1.00 0.00 H new ATOM 0 HA GLU A 100 13.610 8.026 -12.610 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.972 7.621 -11.185 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.086 8.886 -12.392 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.258 7.387 -14.138 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.329 6.322 -13.248 1.00 0.00 H new ATOM 1600 N LYS A 101 13.719 10.454 -11.942 1.00 0.00 N ATOM 1601 CA LYS A 101 13.937 11.842 -11.452 1.00 0.00 C ATOM 1602 C LYS A 101 12.703 12.696 -11.740 1.00 0.00 C ATOM 1603 O LYS A 101 12.486 13.136 -12.852 1.00 0.00 O ATOM 1604 CB LYS A 101 15.146 12.442 -12.145 1.00 0.00 C ATOM 1605 CG LYS A 101 16.173 12.778 -11.073 1.00 0.00 C ATOM 1606 CD LYS A 101 17.563 12.397 -11.568 1.00 0.00 C ATOM 1607 CE LYS A 101 18.387 13.662 -11.815 1.00 0.00 C ATOM 1608 NZ LYS A 101 19.834 13.354 -11.638 1.00 0.00 N ATOM 0 H LYS A 101 14.000 10.286 -12.908 1.00 0.00 H new ATOM 0 HA LYS A 101 14.111 11.818 -10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 101 15.562 11.738 -12.866 1.00 0.00 H new ATOM 0 HB3 LYS A 101 14.864 13.337 -12.699 1.00 0.00 H new ATOM 0 HG2 LYS A 101 16.137 13.842 -10.840 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.943 12.242 -10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 101 18.061 11.765 -10.833 1.00 0.00 H new ATOM 0 HD3 LYS A 101 17.486 11.816 -12.487 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.204 14.037 -12.822 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.084 14.447 -11.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 20.391 14.224 -11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 19.993 12.967 -10.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 20.130 12.655 -12.349 1.00 0.00 H new ATOM 1622 N ASP A 102 11.890 12.935 -10.748 1.00 0.00 N ATOM 1623 CA ASP A 102 10.669 13.760 -10.966 1.00 0.00 C ATOM 1624 C ASP A 102 9.683 12.991 -11.848 1.00 0.00 C ATOM 1625 O ASP A 102 8.670 13.515 -12.267 1.00 0.00 O ATOM 1626 CB ASP A 102 11.055 15.069 -11.657 1.00 0.00 C ATOM 1627 CG ASP A 102 10.136 16.193 -11.175 1.00 0.00 C ATOM 1628 OD1 ASP A 102 8.949 15.946 -11.046 1.00 0.00 O ATOM 1629 OD2 ASP A 102 10.636 17.281 -10.941 1.00 0.00 O ATOM 0 H ASP A 102 12.019 12.594 -9.795 1.00 0.00 H new ATOM 0 HA ASP A 102 10.203 13.979 -10.005 1.00 0.00 H new ATOM 0 HB2 ASP A 102 12.094 15.315 -11.438 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.975 14.959 -12.738 1.00 0.00 H new ATOM 1634 N GLY A 103 9.969 11.749 -12.134 1.00 0.00 N ATOM 1635 CA GLY A 103 9.046 10.950 -12.988 1.00 0.00 C ATOM 1636 C GLY A 103 9.477 11.061 -14.451 1.00 0.00 C ATOM 1637 O GLY A 103 8.658 11.095 -15.348 1.00 0.00 O ATOM 0 H GLY A 103 10.801 11.254 -11.813 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.055 9.906 -12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.024 11.309 -12.871 1.00 0.00 H new ATOM 1641 N LYS A 104 10.756 11.120 -14.700 1.00 0.00 N ATOM 1642 CA LYS A 104 11.238 11.229 -16.106 1.00 0.00 C ATOM 1643 C LYS A 104 12.078 9.999 -16.458 1.00 0.00 C ATOM 1644 O LYS A 104 12.669 9.923 -17.516 1.00 0.00 O ATOM 1645 CB LYS A 104 12.092 12.491 -16.255 1.00 0.00 C ATOM 1646 CG LYS A 104 13.432 12.288 -15.547 1.00 0.00 C ATOM 1647 CD LYS A 104 14.144 13.635 -15.404 1.00 0.00 C ATOM 1648 CE LYS A 104 15.634 13.401 -15.149 1.00 0.00 C ATOM 1649 NZ LYS A 104 16.213 14.587 -14.457 1.00 0.00 N ATOM 0 H LYS A 104 11.489 11.097 -13.991 1.00 0.00 H new ATOM 0 HA LYS A 104 10.382 11.286 -16.779 1.00 0.00 H new ATOM 0 HB2 LYS A 104 12.256 12.709 -17.310 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.570 13.348 -15.829 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.272 11.843 -14.565 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.053 11.595 -16.114 1.00 0.00 H new ATOM 0 HD2 LYS A 104 14.008 14.228 -16.308 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.708 14.203 -14.582 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.774 12.508 -14.540 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.152 13.228 -16.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.135 14.820 -14.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.570 15.398 -14.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.339 14.372 -13.447 1.00 0.00 H new ATOM 1663 N ALA A 105 12.137 9.036 -15.579 1.00 0.00 N ATOM 1664 CA ALA A 105 12.940 7.814 -15.867 1.00 0.00 C ATOM 1665 C ALA A 105 14.409 8.202 -16.048 1.00 0.00 C ATOM 1666 O ALA A 105 14.731 9.136 -16.755 1.00 0.00 O ATOM 1667 CB ALA A 105 12.425 7.153 -17.147 1.00 0.00 C ATOM 0 H ALA A 105 11.664 9.043 -14.675 1.00 0.00 H new ATOM 0 HA ALA A 105 12.848 7.114 -15.036 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.013 6.259 -17.357 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.378 6.877 -17.018 1.00 0.00 H new ATOM 0 HB3 ALA A 105 12.516 7.851 -17.979 1.00 0.00 H new ATOM 1673 N THR A 106 15.302 7.495 -15.411 1.00 0.00 N ATOM 1674 CA THR A 106 16.748 7.829 -15.545 1.00 0.00 C ATOM 1675 C THR A 106 17.517 6.599 -16.035 1.00 0.00 C ATOM 1676 O THR A 106 18.667 6.688 -16.418 1.00 0.00 O ATOM 1677 CB THR A 106 17.295 8.264 -14.183 1.00 0.00 C ATOM 1678 OG1 THR A 106 16.700 7.475 -13.163 1.00 0.00 O ATOM 1679 CG2 THR A 106 16.966 9.739 -13.948 1.00 0.00 C ATOM 0 H THR A 106 15.093 6.702 -14.805 1.00 0.00 H new ATOM 0 HA THR A 106 16.869 8.639 -16.264 1.00 0.00 H new ATOM 0 HB THR A 106 18.376 8.128 -14.164 1.00 0.00 H new ATOM 0 HG1 THR A 106 17.050 7.751 -12.290 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.355 10.049 -12.978 1.00 0.00 H new ATOM 0 HG22 THR A 106 17.423 10.343 -14.732 1.00 0.00 H new ATOM 0 HG23 THR A 106 15.885 9.878 -13.966 1.00 0.00 H new ATOM 1687 N GLY A 107 16.896 5.452 -16.025 1.00 0.00 N ATOM 1688 CA GLY A 107 17.595 4.220 -16.488 1.00 0.00 C ATOM 1689 C GLY A 107 17.908 3.334 -15.282 1.00 0.00 C ATOM 1690 O GLY A 107 18.176 2.156 -15.415 1.00 0.00 O ATOM 0 H GLY A 107 15.934 5.314 -15.716 1.00 0.00 H new ATOM 0 HA2 GLY A 107 16.971 3.679 -17.199 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.516 4.484 -17.009 1.00 0.00 H new ATOM 1694 N TRP A 108 17.873 3.895 -14.105 1.00 0.00 N ATOM 1695 CA TRP A 108 18.165 3.093 -12.885 1.00 0.00 C ATOM 1696 C TRP A 108 17.124 1.980 -12.748 1.00 0.00 C ATOM 1697 O TRP A 108 15.936 2.230 -12.729 1.00 0.00 O ATOM 1698 CB TRP A 108 18.105 4.005 -11.658 1.00 0.00 C ATOM 1699 CG TRP A 108 18.819 3.363 -10.511 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.103 3.606 -10.162 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.312 2.389 -9.553 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.416 2.845 -9.049 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.344 2.078 -8.637 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.069 1.751 -9.391 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.148 1.170 -7.597 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 16.869 0.837 -8.347 1.00 0.00 C ATOM 1707 CH2 TRP A 108 17.906 0.547 -7.451 1.00 0.00 C ATOM 0 H TRP A 108 17.654 4.877 -13.936 1.00 0.00 H new ATOM 0 HA TRP A 108 19.158 2.651 -12.963 1.00 0.00 H new ATOM 0 HB2 TRP A 108 18.560 4.968 -11.888 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.067 4.199 -11.389 1.00 0.00 H new ATOM 0 HD1 TRP A 108 20.774 4.283 -10.669 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.327 2.850 -8.590 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.263 1.967 -10.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 19.951 0.950 -6.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 15.910 0.354 -8.233 1.00 0.00 H new ATOM 0 HH2 TRP A 108 17.746 -0.157 -6.648 1.00 0.00 H new ATOM 1718 N SER A 109 17.560 0.755 -12.652 1.00 0.00 N ATOM 1719 CA SER A 109 16.594 -0.371 -12.515 1.00 0.00 C ATOM 1720 C SER A 109 17.192 -1.443 -11.598 1.00 0.00 C ATOM 1721 O SER A 109 18.147 -2.106 -11.947 1.00 0.00 O ATOM 1722 CB SER A 109 16.319 -0.976 -13.892 1.00 0.00 C ATOM 1723 OG SER A 109 17.356 -1.892 -14.219 1.00 0.00 O ATOM 0 H SER A 109 18.543 0.485 -12.662 1.00 0.00 H new ATOM 0 HA SER A 109 15.662 -0.002 -12.087 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.355 -1.485 -13.892 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.264 -0.188 -14.643 1.00 0.00 H new ATOM 0 HG SER A 109 17.186 -2.750 -13.776 1.00 0.00 H new ATOM 1729 N ALA A 110 16.643 -1.615 -10.425 1.00 0.00 N ATOM 1730 CA ALA A 110 17.190 -2.642 -9.492 1.00 0.00 C ATOM 1731 C ALA A 110 16.480 -3.976 -9.715 1.00 0.00 C ATOM 1732 O ALA A 110 15.432 -4.040 -10.325 1.00 0.00 O ATOM 1733 CB ALA A 110 16.967 -2.193 -8.047 1.00 0.00 C ATOM 0 H ALA A 110 15.842 -1.090 -10.074 1.00 0.00 H new ATOM 0 HA ALA A 110 18.257 -2.761 -9.681 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.367 -2.945 -7.367 1.00 0.00 H new ATOM 0 HB2 ALA A 110 17.475 -1.244 -7.878 1.00 0.00 H new ATOM 0 HB3 ALA A 110 15.899 -2.070 -7.865 1.00 0.00 H new ATOM 1739 N PHE A 111 17.041 -5.044 -9.215 1.00 0.00 N ATOM 1740 CA PHE A 111 16.394 -6.373 -9.388 1.00 0.00 C ATOM 1741 C PHE A 111 16.411 -7.123 -8.059 1.00 0.00 C ATOM 1742 O PHE A 111 17.415 -7.183 -7.379 1.00 0.00 O ATOM 1743 CB PHE A 111 17.152 -7.190 -10.437 1.00 0.00 C ATOM 1744 CG PHE A 111 17.329 -6.373 -11.691 1.00 0.00 C ATOM 1745 CD1 PHE A 111 18.238 -5.309 -11.709 1.00 0.00 C ATOM 1746 CD2 PHE A 111 16.589 -6.682 -12.838 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.407 -4.553 -12.874 1.00 0.00 C ATOM 1748 CE2 PHE A 111 16.759 -5.925 -14.004 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.668 -4.861 -14.021 1.00 0.00 C ATOM 0 H PHE A 111 17.918 -5.052 -8.695 1.00 0.00 H new ATOM 0 HA PHE A 111 15.365 -6.228 -9.718 1.00 0.00 H new ATOM 0 HB2 PHE A 111 18.125 -7.488 -10.046 1.00 0.00 H new ATOM 0 HB3 PHE A 111 16.605 -8.106 -10.663 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.809 -5.072 -10.824 1.00 0.00 H new ATOM 0 HD2 PHE A 111 15.888 -7.503 -12.824 1.00 0.00 H new ATOM 0 HE1 PHE A 111 19.108 -3.732 -12.888 1.00 0.00 H new ATOM 0 HE2 PHE A 111 16.189 -6.162 -14.890 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.799 -4.277 -14.920 1.00 0.00 H new ATOM 1759 N TYR A 112 15.304 -7.699 -7.686 1.00 0.00 N ATOM 1760 CA TYR A 112 15.248 -8.449 -6.403 1.00 0.00 C ATOM 1761 C TYR A 112 15.685 -9.891 -6.640 1.00 0.00 C ATOM 1762 O TYR A 112 14.932 -10.702 -7.143 1.00 0.00 O ATOM 1763 CB TYR A 112 13.815 -8.435 -5.868 1.00 0.00 C ATOM 1764 CG TYR A 112 13.802 -8.932 -4.442 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.759 -8.470 -3.531 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.832 -9.854 -4.031 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.747 -8.930 -2.209 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.819 -10.314 -2.710 1.00 0.00 C ATOM 1769 CZ TYR A 112 13.776 -9.853 -1.798 1.00 0.00 C ATOM 1770 OH TYR A 112 13.764 -10.306 -0.494 1.00 0.00 O ATOM 0 H TYR A 112 14.433 -7.682 -8.216 1.00 0.00 H new ATOM 0 HA TYR A 112 15.913 -7.980 -5.678 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.408 -7.425 -5.915 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.178 -9.065 -6.489 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.507 -7.758 -3.848 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.094 -10.210 -4.734 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.486 -8.574 -1.506 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.070 -11.025 -2.393 1.00 0.00 H new ATOM 0 HH TYR A 112 13.026 -10.940 -0.375 1.00 0.00 H new ATOM 1780 N VAL A 113 16.889 -10.228 -6.275 1.00 0.00 N ATOM 1781 CA VAL A 113 17.355 -11.618 -6.472 1.00 0.00 C ATOM 1782 C VAL A 113 17.000 -12.417 -5.221 1.00 0.00 C ATOM 1783 O VAL A 113 15.988 -12.175 -4.603 1.00 0.00 O ATOM 1784 CB VAL A 113 18.870 -11.628 -6.706 1.00 0.00 C ATOM 1785 CG1 VAL A 113 19.257 -12.895 -7.467 1.00 0.00 C ATOM 1786 CG2 VAL A 113 19.272 -10.403 -7.538 1.00 0.00 C ATOM 0 H VAL A 113 17.568 -9.597 -5.849 1.00 0.00 H new ATOM 0 HA VAL A 113 16.875 -12.064 -7.343 1.00 0.00 H new ATOM 0 HB VAL A 113 19.382 -11.602 -5.744 1.00 0.00 H new ATOM 0 HG11 VAL A 113 20.334 -12.904 -7.635 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.973 -13.771 -6.884 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.740 -12.915 -8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 113 20.349 -10.413 -7.703 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.758 -10.431 -8.499 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.995 -9.494 -7.004 1.00 0.00 H new ATOM 1796 N ASP A 114 17.828 -13.331 -4.811 1.00 0.00 N ATOM 1797 CA ASP A 114 17.515 -14.107 -3.576 1.00 0.00 C ATOM 1798 C ASP A 114 17.624 -13.138 -2.419 1.00 0.00 C ATOM 1799 O ASP A 114 18.679 -12.977 -1.836 1.00 0.00 O ATOM 1800 CB ASP A 114 18.526 -15.244 -3.403 1.00 0.00 C ATOM 1801 CG ASP A 114 17.783 -16.579 -3.316 1.00 0.00 C ATOM 1802 OD1 ASP A 114 16.882 -16.785 -4.112 1.00 0.00 O ATOM 1803 OD2 ASP A 114 18.127 -17.371 -2.454 1.00 0.00 O ATOM 0 H ASP A 114 18.704 -13.576 -5.272 1.00 0.00 H new ATOM 0 HA ASP A 114 16.520 -14.549 -3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.222 -15.257 -4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.117 -15.085 -2.501 1.00 0.00 H new ATOM 1808 N GLY A 115 16.568 -12.427 -2.121 1.00 0.00 N ATOM 1809 CA GLY A 115 16.673 -11.405 -1.052 1.00 0.00 C ATOM 1810 C GLY A 115 17.917 -10.592 -1.393 1.00 0.00 C ATOM 1811 O GLY A 115 18.593 -10.059 -0.535 1.00 0.00 O ATOM 0 H GLY A 115 15.654 -12.511 -2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.786 -10.773 -1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.764 -11.870 -0.071 1.00 0.00 H new ATOM 1815 N LYS A 116 18.245 -10.550 -2.667 1.00 0.00 N ATOM 1816 CA LYS A 116 19.475 -9.836 -3.099 1.00 0.00 C ATOM 1817 C LYS A 116 19.148 -8.708 -4.082 1.00 0.00 C ATOM 1818 O LYS A 116 19.539 -8.757 -5.229 1.00 0.00 O ATOM 1819 CB LYS A 116 20.409 -10.834 -3.787 1.00 0.00 C ATOM 1820 CG LYS A 116 21.706 -10.956 -2.987 1.00 0.00 C ATOM 1821 CD LYS A 116 22.278 -9.563 -2.718 1.00 0.00 C ATOM 1822 CE LYS A 116 23.787 -9.667 -2.487 1.00 0.00 C ATOM 1823 NZ LYS A 116 24.436 -8.379 -2.863 1.00 0.00 N ATOM 0 H LYS A 116 17.708 -10.982 -3.419 1.00 0.00 H new ATOM 0 HA LYS A 116 19.948 -9.401 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.925 -11.807 -3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.626 -10.504 -4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 116 21.517 -11.470 -2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.430 -11.557 -3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 116 22.073 -8.905 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 116 21.795 -9.122 -1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 116 23.991 -9.898 -1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 116 24.201 -10.482 -3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 25.462 -8.448 -2.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 24.252 -8.177 -3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 24.048 -7.611 -2.279 1.00 0.00 H new ATOM 1837 N TRP A 117 18.460 -7.684 -3.657 1.00 0.00 N ATOM 1838 CA TRP A 117 18.162 -6.576 -4.604 1.00 0.00 C ATOM 1839 C TRP A 117 19.456 -6.196 -5.329 1.00 0.00 C ATOM 1840 O TRP A 117 20.542 -6.479 -4.864 1.00 0.00 O ATOM 1841 CB TRP A 117 17.635 -5.365 -3.841 1.00 0.00 C ATOM 1842 CG TRP A 117 16.151 -5.467 -3.714 1.00 0.00 C ATOM 1843 CD1 TRP A 117 15.493 -5.690 -2.555 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.131 -5.355 -4.752 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.136 -5.720 -2.810 1.00 0.00 N ATOM 1846 CE2 TRP A 117 13.861 -5.518 -4.148 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.178 -5.130 -6.144 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 12.682 -5.458 -4.893 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 13.994 -5.070 -6.895 1.00 0.00 C ATOM 1850 CH2 TRP A 117 12.749 -5.231 -6.271 1.00 0.00 C ATOM 0 H TRP A 117 18.097 -7.568 -2.711 1.00 0.00 H new ATOM 0 HA TRP A 117 17.406 -6.897 -5.320 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.093 -5.316 -2.853 1.00 0.00 H new ATOM 0 HB3 TRP A 117 17.904 -4.447 -4.363 1.00 0.00 H new ATOM 0 HD1 TRP A 117 15.953 -5.823 -1.587 1.00 0.00 H new ATOM 0 HE1 TRP A 117 13.423 -5.873 -2.096 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.132 -5.003 -6.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 11.725 -5.586 -4.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.042 -4.899 -7.960 1.00 0.00 H new ATOM 0 HH2 TRP A 117 11.842 -5.180 -6.855 1.00 0.00 H new ATOM 1861 N VAL A 118 19.356 -5.564 -6.464 1.00 0.00 N ATOM 1862 CA VAL A 118 20.591 -5.182 -7.209 1.00 0.00 C ATOM 1863 C VAL A 118 20.326 -3.909 -8.014 1.00 0.00 C ATOM 1864 O VAL A 118 19.273 -3.314 -7.921 1.00 0.00 O ATOM 1865 CB VAL A 118 20.995 -6.314 -8.162 1.00 0.00 C ATOM 1866 CG1 VAL A 118 22.035 -7.205 -7.491 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.771 -7.161 -8.508 1.00 0.00 C ATOM 0 H VAL A 118 18.478 -5.296 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 118 21.399 -5.005 -6.499 1.00 0.00 H new ATOM 0 HB VAL A 118 21.411 -5.878 -9.070 1.00 0.00 H new ATOM 0 HG11 VAL A 118 22.319 -8.008 -8.171 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.915 -6.612 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.615 -7.632 -6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 118 20.063 -7.964 -9.185 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.355 -7.589 -7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 118 19.020 -6.535 -8.990 1.00 0.00 H new ATOM 1877 N GLU A 119 21.275 -3.484 -8.802 1.00 0.00 N ATOM 1878 CA GLU A 119 21.075 -2.250 -9.611 1.00 0.00 C ATOM 1879 C GLU A 119 21.312 -2.563 -11.089 1.00 0.00 C ATOM 1880 O GLU A 119 21.996 -3.507 -11.432 1.00 0.00 O ATOM 1881 CB GLU A 119 22.064 -1.174 -9.153 1.00 0.00 C ATOM 1882 CG GLU A 119 21.525 -0.489 -7.894 1.00 0.00 C ATOM 1883 CD GLU A 119 22.408 -0.851 -6.698 1.00 0.00 C ATOM 1884 OE1 GLU A 119 22.179 -1.898 -6.113 1.00 0.00 O ATOM 1885 OE2 GLU A 119 23.297 -0.076 -6.387 1.00 0.00 O ATOM 0 H GLU A 119 22.180 -3.939 -8.920 1.00 0.00 H new ATOM 0 HA GLU A 119 20.055 -1.889 -9.476 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.036 -1.622 -8.948 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.212 -0.440 -9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 119 21.509 0.592 -8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 119 20.497 -0.802 -7.709 1.00 0.00 H new ATOM 1892 N GLY A 120 20.753 -1.778 -11.969 1.00 0.00 N ATOM 1893 CA GLY A 120 20.947 -2.032 -13.424 1.00 0.00 C ATOM 1894 C GLY A 120 21.721 -0.870 -14.048 1.00 0.00 C ATOM 1895 O GLY A 120 21.479 -0.482 -15.173 1.00 0.00 O ATOM 0 H GLY A 120 20.170 -0.972 -11.743 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.491 -2.965 -13.571 1.00 0.00 H new ATOM 0 HA3 GLY A 120 19.981 -2.145 -13.916 1.00 0.00 H new